forked from lijiext/lammps
Merge remote-tracking branch 'akohlmey/more-pair-style-tests' into tokenizer
This commit is contained in:
Richard Berger
commit
caa43c7ed6
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@ -89,7 +89,7 @@ void PairTersoffZBLOMP::read_file(char *file)
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memory->sfree(params);
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params = NULL;
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nparams = 0;
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nparams = maxparam = 0;
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// open file on proc 0
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@ -205,8 +205,7 @@ void PairTersoffZBLOMP::read_file(char *file)
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params[nparams].powermint = int(params[nparams].powerm);
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if (
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params[nparams].c < 0.0 ||
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if (params[nparams].c < 0.0 ||
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params[nparams].d < 0.0 ||
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params[nparams].powern < 0.0 ||
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params[nparams].beta < 0.0 ||
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@ -215,6 +214,7 @@ void PairTersoffZBLOMP::read_file(char *file)
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params[nparams].bigr < 0.0 ||
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params[nparams].bigd < 0.0 ||
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params[nparams].bigd > params[nparams].bigr ||
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params[nparams].lam1 < 0.0 ||
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params[nparams].biga < 0.0 ||
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params[nparams].powerm - params[nparams].powermint != 0.0 ||
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(params[nparams].powermint != 3 &&
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@ -288,8 +288,8 @@ void PairTersoffZBLOMP::repulsive(Param *param, double rsq, double &fforce,
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0.9423*0.5099*exp(-0.9423*r_ov_a) -
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0.4029*0.2802*exp(-0.4029*r_ov_a) -
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0.2016*0.02817*exp(-0.2016*r_ov_a));
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double fforce_ZBL = premult*-rsq* phi + premult/r*dphi;
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double eng_ZBL = premult/r*phi;
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double fforce_ZBL = premult*-phi/rsq + premult*dphi/r;
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double eng_ZBL = premult*(1.0/r)*phi;
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// combine two parts with smoothing by Fermi-like function
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@ -1,7 +1,7 @@
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---
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lammps_version: 5 May 2020
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date_generated: Tue May 26 18:05:10 202
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epsilon: 1.0e-13
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epsilon: 5.0e-13
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prerequisites: ! |
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pair adp
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pre_commands: ! ""
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@ -1,7 +1,7 @@
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---
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lammps_version: 5 May 2020
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date_generated: Tue May 26 21:02:07 202
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epsilon: 5.0e-13
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epsilon: 5.0e-12
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prerequisites: ! |
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pair eim
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pre_commands: ! ""
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@ -1,6 +1,6 @@
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---
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lammps_version: 5 May 2020
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date_generated: Tue May 26 18:29:52 202
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date_generated: Wed May 27 08:47:16 202
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epsilon: 1.0e-12
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prerequisites: ! |
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pair bop
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@ -8,149 +8,150 @@ pre_commands: ! |
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variable newton_pair delete
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variable newton_pair index on
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comm_modify cutoff 14.0
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post_commands: ! ""
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post_commands: ! |
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change_box all x final 0 14 y final 0 14 z final 0 14
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input_file: in.manybody
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pair_style: bop
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pair_coeff: ! |
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* * CdTeSe.bop.table Cd Cd Cd Cd Te Te Te Te
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extract: ! ""
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natoms: 64
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init_vdwl: 510.507928762345
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init_coul: -512.165979426377
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init_vdwl: 364.079153050312
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init_coul: -362.149690315186
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init_stress: ! |2-
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5.1500778163653456e+02 5.1783365075892220e+02 5.2380943225443650e+02 -1.0609071740871268e+01 5.0077516818692160e+01 1.4234850008839874e+00
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3.3966990987465391e+02 3.4618689287108629e+02 3.5156848915263754e+02 -1.3102148647712403e+01 7.4326391569063162e+01 7.7877176766647125e+00
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init_forces: ! |2
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2 -3.9716165827971759e+00 -7.6837521252356322e-01 -2.9701329593869974e+00
|
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4 -2.8301789938519204e+00 4.4363289235161911e+00 7.7772075780831584e-01
|
||||
5 -3.3651272886901951e+00 -8.8398645924637376e-01 -4.8218589043974625e-01
|
||||
9 5.6142256014552028e-01 -3.3503734326272436e+00 -3.9578790750157866e+00
|
||||
10 5.9825990292644859e-01 -1.8128627270334772e+00 -3.4116087344626513e+00
|
||||
13 -4.3978316856284470e-02 7.7587427446639818e+00 -2.0272292185201839e+00
|
||||
11 4.2349432252712100e+00 -4.8169644045574733e+00 2.7617774223712153e+00
|
||||
12 -8.1844933401317430e+00 -4.3519817613937173e+00 -3.1583001608306343e+00
|
||||
19 -1.8085102587372457e+00 -2.7413679484356086e+00 -7.2233223485441345e-01
|
||||
21 3.7678868572938868e+00 1.6593514711268982e+00 -4.6915432057950479e+00
|
||||
8 7.0708025242803818e-01 1.3931216541903235e+00 -2.2343691765467231e+00
|
||||
29 -5.1081633348329678e+00 1.6108900150751222e+00 -1.1614789410684356e+00
|
||||
16 2.9423591916586580e+00 -1.3056146620347535e+00 8.1392611444839744e+00
|
||||
17 1.9578951730495036e+00 4.0525876677644916e+00 -6.2411658723782324e+00
|
||||
27 2.8342225200173088e+00 -6.4399174523039404e-01 2.6162535792207886e+00
|
||||
3 9.7438363571027309e-01 -5.0024051702632455e-01 -3.4289885700442779e-02
|
||||
18 4.5134893564340584e-01 8.5215122424710987e-01 4.7976116480667947e+00
|
||||
24 2.5698858416859762e+00 1.2198605890963461e+00 4.7897865743246832e+00
|
||||
26 -7.5938973867546233e-01 -9.1024267510924639e-01 2.0420446114877113e+00
|
||||
1 -1.0862534223893368e+00 4.6410480214803833e+00 2.4409639420531568e+00
|
||||
32 -5.2398096624485824e+00 7.8022742718345928e-01 -2.2507041105547865e-01
|
||||
36 1.8468681244408222e-01 -4.0056725211916282e+00 1.6219360238477001e-01
|
||||
37 -2.8621508319206734e+00 2.5723856044880926e+00 -3.7656528914465319e+00
|
||||
7 -1.4798351755547123e+00 -2.1083969093189769e+00 4.5604807012156154e+00
|
||||
41 6.2953991898915054e-02 -6.4839214845879034e-01 -1.2877673089743620e+00
|
||||
45 -2.3629408038189186e+00 1.6788416173383061e+00 -4.4578001791418762e+00
|
||||
15 -5.2996434224569455e+00 6.6309270775168656e+00 -3.1466569609269892e+00
|
||||
33 6.2604113040589038e+00 -2.6701291380220455e+00 3.9003900423910336e+00
|
||||
44 4.9361249780652159e+00 -5.4754338346395004e+00 1.2634046382767958e+00
|
||||
6 -5.0517012978759301e-01 4.7552295524133585e+00 2.0873744303254522e+00
|
||||
49 -2.2545965185605059e+00 -7.0950544218468536e+00 -3.3652677722412054e+00
|
||||
53 4.3243316840696107e+00 4.2933912114363864e+00 2.5654200744372471e+00
|
||||
14 -2.1435077040662467e+00 5.5419586006311583e+00 1.2074654414250168e+00
|
||||
23 3.4786492314560986e+00 5.4951463034983368e+00 1.9080070976064329e+00
|
||||
40 6.1628861102572268e+00 -3.1529513284523349e+00 -2.1465170822594550e+00
|
||||
57 6.6762694600019701e-01 -1.4290440154625499e+00 -6.3329699348524859e-01
|
||||
61 -1.5808887765358359e+00 3.3800184627942764e+00 -2.2638918396414507e+00
|
||||
31 -2.8574877036362780e+00 2.0143135099194831e+00 -3.9154465841990338e-01
|
||||
48 2.7901231664297841e+00 3.5773699450392388e-01 -8.5043068139894962e-01
|
||||
22 -7.0954868915091334e+00 4.7817107763076931e+00 -5.5934820743830427e+00
|
||||
52 6.0892296578359284e+00 -5.9708704257371945e+00 6.2559453045908047e+00
|
||||
30 -3.1551286767534465e+00 1.2042311122612892e+00 -1.3642883474828915e+00
|
||||
56 -8.0902659426862616e-02 2.3232438273382511e-01 -3.1315922413621968e+00
|
||||
60 -2.8996119745350546e+00 -7.6225357577934290e+00 -3.8118479043623990e+00
|
||||
64 3.6982761860023579e+00 3.6401908446829241e+00 9.2937131661886916e+00
|
||||
35 1.6936867217608733e+00 -9.1575644824734070e-02 3.5705568689576830e+00
|
||||
39 4.4158273232103653e+00 -1.7009730552139699e+00 -7.0639612531512279e+00
|
||||
42 -6.0961699442216810e+00 -3.0004651950495034e+00 -3.9108650048794447e-01
|
||||
34 3.9921289652618719e-01 -3.4806592709808942e-01 5.2294695912630751e-01
|
||||
43 9.4685029864102455e-01 -7.6212218057779539e+00 -5.4578819226120945e-01
|
||||
47 4.1625244110824022e+00 2.0744004252876280e+00 1.3568211427594947e+00
|
||||
38 -8.8471771582721681e-01 -5.2703303778189059e-01 9.3558250513344710e-01
|
||||
51 -1.6629682549942619e+00 4.5964072658113775e+00 5.4200525256703003e+00
|
||||
25 1.0051237760152112e+00 -4.1020234151643653e-01 2.0413958922898097e+00
|
||||
46 -6.6387202093586528e-01 -2.7935212278467318e+00 7.5978521512533250e+00
|
||||
55 8.7208551613561869e-01 -4.7167143527351421e+00 -5.5298958869817714e+00
|
||||
59 3.9893134241615495e+00 2.3566634255682786e+00 -2.6719871289085524e+00
|
||||
63 4.7867414311676972e+00 -6.0374381158999482e+00 2.3402376441629746e-01
|
||||
20 -9.0001223043217298e+00 -1.5181608423928136e-01 9.5835093405808025e-01
|
||||
50 2.4377007616929802e-01 4.2498311062096219e+00 -1.7245158773822085e+00
|
||||
54 3.4506747641010969e+00 -4.7787725173545734e+00 -3.1621223102644280e+00
|
||||
58 3.8617276424439351e+00 -1.2170408656421448e+00 1.2973506149337080e+00
|
||||
62 -5.7758702914128461e+00 5.2998718446921504e+00 -3.0892398448094500e+00
|
||||
28 9.7606629392302802e-01 2.0994323606825538e+00 6.2014721585710832e+00
|
||||
run_vdwl: 504.471314103777
|
||||
run_coul: -511.818511529835
|
||||
2 -6.7657618631759320e+00 -1.9714098031450331e+00 -1.9574584176744636e+00
|
||||
4 1.0073795610759633e+00 7.5990103200194462e-02 -5.8614142738747335e+00
|
||||
5 -9.6916612925424761e-01 -5.7449962139494515e+00 6.5347260611804403e-01
|
||||
9 -4.7372121746239149e+00 -3.6913333483613084e+00 -4.6722330861953925e+00
|
||||
10 6.5517587473301320e-01 -1.7923448826721364e+00 -3.3434598459917941e+00
|
||||
13 -2.7112085630579242e-03 6.8277139871033308e+00 -2.2967681340898873e+00
|
||||
11 3.8967108732919096e+00 -7.4863880154293847e+00 2.7429474841013213e+00
|
||||
12 -6.0786679901186860e+00 -6.5606904870075722e+00 -7.0097334945819778e+00
|
||||
19 -1.7051822875205003e+00 -2.4963962264706905e+00 -1.0171419383091147e+00
|
||||
21 5.2535601695601941e-01 -1.1442379692370610e+00 -7.5688704498758330e+00
|
||||
8 2.2991025920759403e+00 3.2348220076122085e+00 -4.2554181134301299e+00
|
||||
29 -2.9515619067627727e+00 3.6964468816763860e+00 -6.1091411229897217e+00
|
||||
16 3.4260526614622595e+00 -1.3582336844726486e+00 8.0004094028242871e+00
|
||||
27 2.9076777081348526e+00 -7.2234664630934009e-01 2.5896765519829730e+00
|
||||
17 6.3109121239111241e+00 5.4271391393203663e+00 -5.0896847619900853e+00
|
||||
18 -5.6029679425178438e+00 3.2287653035761439e+00 2.4808240180642303e+00
|
||||
24 5.4793943041977211e-02 -5.3091883236113424e-01 -3.9702491353797651e+00
|
||||
26 -7.6538149065316063e-01 -8.0209393058521639e-01 1.5253821301928547e+00
|
||||
32 -3.1641759637807927e+00 -3.8887179334672979e+00 3.6371024153362974e+00
|
||||
3 7.2828945770122666e-01 5.0746746934603495e+00 -5.2357860370670162e-01
|
||||
1 2.9878128835774347e+00 3.6232079193306399e+00 -3.4190494158568923e+00
|
||||
36 9.4554100886202516e-02 -4.0632108448704152e+00 7.5162502634858575e-02
|
||||
37 -5.4896426605849733e+00 3.3497073647069810e+00 -2.4858333711053930e+00
|
||||
7 -4.5026815551032362e+00 -4.9146963782824402e+00 1.4532565381955123e+00
|
||||
41 -7.9419395483959665e-01 -3.7177238164899422e+00 -4.1004039149083282e-01
|
||||
45 -1.8023567510083716e+00 1.0484554921422611e+00 -4.5031991967635960e+00
|
||||
15 -2.6550018749979118e+00 7.4116035524664472e+00 -4.8785640639793701e+00
|
||||
44 5.0745595651603175e+00 -5.3222158275140954e+00 1.1433849398407878e+00
|
||||
33 5.2740664364980301e+00 -5.9924587745178206e+00 6.9488645221507763e+00
|
||||
6 -9.6846313530244921e-01 4.7063849616364610e+00 1.7080520383161544e+00
|
||||
49 -6.4790387967623753e+00 -5.1067927650861664e+00 -5.8398039126287351e+00
|
||||
53 3.0358696560082143e+00 4.1465981272189882e+00 2.4970205255104476e+00
|
||||
14 -2.2007084555052439e+00 5.5889331094398349e+00 1.1645038686485254e+00
|
||||
23 3.3428784301885011e+00 5.6055975388833144e+00 1.8288572266250294e+00
|
||||
40 6.1487390491364913e+00 -3.1471194692615514e+00 -2.0061243219260261e+00
|
||||
57 6.6864389377393674e-01 -1.4293143155631594e+00 -6.5820341835587970e-01
|
||||
61 -1.4122995154977305e+00 3.3786882898898583e+00 -2.0026259570256739e+00
|
||||
31 2.8235069055251558e+00 1.0029513917910076e+00 8.9676078912529833e-01
|
||||
48 4.1918055806946262e+00 2.0896352886038452e+00 -1.8960857449914978e+00
|
||||
22 -8.8688410254286989e+00 5.9931333032237175e+00 -4.5163300472689407e+00
|
||||
52 5.8245504749275669e+00 -5.6694210051322145e+00 6.3767288732700305e+00
|
||||
30 -2.1733428452088170e+00 4.4305531038524091e+00 -1.6142368233992368e+00
|
||||
56 -1.6711637522303655e+00 5.6437624670000481e+00 -1.7966404860118679e+00
|
||||
60 -2.5613653424537404e+00 -7.4496034384791576e+00 -3.6119241718702568e+00
|
||||
64 6.1865871833238231e+00 6.6770194193023533e+00 7.0072357693189105e+00
|
||||
35 2.7108219798661657e+00 -5.7229975437790408e+00 2.7804868821946576e+00
|
||||
39 4.9976230161028468e-01 1.4057044143573156e+00 1.7075684778185964e+00
|
||||
42 -5.9251395098072077e+00 -3.0589360944757233e+00 -2.1037057648428517e-01
|
||||
43 -3.1937882823257886e-02 -9.3088887425344939e+00 5.5939077706891682e-01
|
||||
47 3.3571615219749580e+00 2.5333754416591745e+00 6.4749224854034670e+00
|
||||
34 3.6319983575980341e+00 -4.9364126234068900e-01 4.2847049717273394e-01
|
||||
38 -1.8402541213279926e+00 -3.3470208661635530e+00 2.3306996537380402e+00
|
||||
51 -1.5659016606221563e+00 4.5292625031636931e+00 5.3067910507389762e+00
|
||||
46 3.1668195336170962e-01 -3.3508790518989966e+00 8.4153924926837913e+00
|
||||
55 7.2404286363884063e-01 -4.3826049365009201e+00 -4.3537813417676006e+00
|
||||
59 4.3560941143105127e+00 1.9447058398794210e+00 -2.1942060052546348e+00
|
||||
63 9.2037343963997085e+00 -1.4101187164290188e+00 -3.3925625337270975e+00
|
||||
50 -4.7408183311934264e+00 9.3062023815190320e-01 1.8211432908588741e+00
|
||||
54 6.6722010590671610e-01 3.0099048585519621e+00 1.7908413874842583e-01
|
||||
58 3.8330262244172193e+00 -9.6204119537453447e-01 1.2981402971696039e+00
|
||||
62 -3.5157184765854192e+00 6.7575744298784954e+00 -3.4529555923914099e+00
|
||||
25 5.3681423297453723e-01 -1.0510350898224763e+00 5.4477656032387234e+00
|
||||
20 -4.2428272235584821e+00 5.0649397606199544e+00 6.7132393552842489e+00
|
||||
28 -1.1178971963308753e+00 -3.4704282371437234e-01 1.0724951546013367e+01
|
||||
run_vdwl: 351.785836133929
|
||||
run_coul: -357.532014697746
|
||||
run_stress: ! |2-
|
||||
5.0889700365126174e+02 5.1163603797640587e+02 5.1767641102707751e+02 -8.9747950287687086e+00 4.1827264725206319e+01 5.2552560982664369e+00
|
||||
3.2502861569484554e+02 3.3248530108814219e+02 3.3780581632472934e+02 -1.1265394480964254e+01 6.5895104375977297e+01 1.1568837976308686e+01
|
||||
run_forces: ! |2
|
||||
2 -3.4265204543003027e+00 -9.3648692261036248e-01 -2.6864365416827249e+00
|
||||
4 -2.3095883902085346e+00 4.0033186057307857e+00 1.3363778389778452e-01
|
||||
5 -3.2606749717209293e+00 -8.8990798174349517e-01 -1.7888385519906169e-01
|
||||
9 3.6846985719597669e-01 -3.3946399693328129e+00 -3.7989385007125738e+00
|
||||
10 2.9000252432505591e-01 -1.7548189454602621e+00 -2.4629436739459969e+00
|
||||
13 1.0155455689053439e+00 6.7326485085352026e+00 -1.5759587534808532e+00
|
||||
11 3.0947103825316598e+00 -3.9415064595779947e+00 2.3071928541731630e+00
|
||||
12 -7.3190077723859819e+00 -3.4905489036705708e+00 -2.3145426090656653e+00
|
||||
19 -1.9213767595036269e+00 -2.8107315256712782e+00 -6.1249822652165753e-01
|
||||
21 3.4640233608274662e+00 1.2105684010120095e+00 -4.7049166318268991e+00
|
||||
8 3.2993499632205248e-01 1.1653682025835874e+00 -1.8863131167047573e+00
|
||||
29 -4.6544277853479299e+00 1.3881544027790216e+00 -8.9256929667990992e-01
|
||||
16 2.5117159943799985e+00 -1.2347000074748973e+00 6.6935286575935224e+00
|
||||
17 1.5301521571965440e+00 3.6304685478712386e+00 -5.4172051948385267e+00
|
||||
27 2.6466783279905965e+00 -6.1104808165194524e-01 2.3264226058792463e+00
|
||||
3 4.1025553697993611e-01 -1.3599522843317235e-01 4.3430063190560969e-01
|
||||
18 -9.7560450657679681e-02 9.1525427547557969e-01 4.3787386639548052e+00
|
||||
24 2.9333398221853462e+00 4.4334848432136237e-01 3.8978470952580797e+00
|
||||
26 -9.0688328647480643e-01 -6.1058667431762337e-01 2.0756035614937809e+00
|
||||
1 -9.0448429537580988e-01 3.9455225781181733e+00 2.1462500866428917e+00
|
||||
32 -4.4834832438397214e+00 4.4312588261858377e-01 -3.8726979682779161e-01
|
||||
36 -2.5567350873364242e-01 -3.5434265658980975e+00 -3.7622845092877621e-01
|
||||
37 -2.3780251948396947e+00 1.9318224630699665e+00 -3.5282711739349226e+00
|
||||
7 -1.1029115978326987e+00 -1.3509566513511670e+00 3.8141367106839255e+00
|
||||
41 5.0387234745989495e-01 -2.5760916026713943e-01 -8.7645606324776248e-01
|
||||
45 -2.4607511639819841e+00 9.1084241892685136e-01 -3.7588288096642164e+00
|
||||
15 -4.6478510286164152e+00 5.6895996907565491e+00 -2.1374758394380806e+00
|
||||
33 5.2121433564219428e+00 -2.0180035224413468e+00 3.2223990224107761e+00
|
||||
44 4.6261782271858172e+00 -4.9111014393271883e+00 5.9340736579391762e-01
|
||||
6 2.3823535033973026e-01 4.2503412556608176e+00 2.0265397546066062e+00
|
||||
49 -2.4170631525641482e+00 -6.7610729096622961e+00 -3.1427473462035285e+00
|
||||
53 4.0829175664554462e+00 4.0471794967940218e+00 2.8830019386264349e+00
|
||||
14 -2.2662379310489436e+00 4.9599266579435470e+00 1.3182277707587349e+00
|
||||
23 3.4036690858158427e+00 5.2391003601933974e+00 1.6514821583310970e+00
|
||||
40 5.8695064825158401e+00 -2.5256992142803401e+00 -2.0396963302928337e+00
|
||||
57 5.4586254418882429e-01 -1.6982633570241108e+00 -6.3257728539740443e-01
|
||||
61 -1.3397558633273530e+00 3.1877883602863712e+00 -1.9203746967388080e+00
|
||||
31 -2.5029521249383220e+00 1.9697717595889217e+00 -3.5716240407671895e-01
|
||||
48 2.5942740304726142e+00 6.6288961467757745e-01 -9.3182609191844068e-01
|
||||
22 -5.8193167898993883e+00 3.9725059844597528e+00 -4.4476175215097422e+00
|
||||
52 5.3037892395579007e+00 -4.6730745382096464e+00 5.1281429404396377e+00
|
||||
30 -2.6562292901500228e+00 7.9228397518682980e-01 -1.4058754303932073e+00
|
||||
56 -8.5052797078620901e-02 -2.9706963418032645e-01 -2.7368639525102538e+00
|
||||
60 -2.7595033559600881e+00 -6.8017380975382320e+00 -3.5753632269698374e+00
|
||||
64 3.4742798999157238e+00 3.4192781241942947e+00 8.3985813124559403e+00
|
||||
35 1.6488658534849989e+00 2.8932248139920341e-01 3.1546805149265396e+00
|
||||
39 3.6070256306524966e+00 -1.2491768192383772e+00 -6.3082714923102765e+00
|
||||
42 -5.5245856232328903e+00 -2.9734009478313146e+00 -4.7030533528540858e-01
|
||||
34 3.1569673099049494e-01 -2.6734872524579428e-01 6.1184038462328638e-01
|
||||
43 7.4963794758429003e-01 -6.6474292036866514e+00 -7.5883607565239031e-01
|
||||
47 3.7395200363376349e+00 1.6914449688333557e+00 1.1589094699472102e+00
|
||||
38 -5.7727268099265272e-01 -3.5330540122279563e-01 1.0182041457017434e+00
|
||||
51 -1.7332763025973601e+00 4.1858613271416791e+00 5.0117645394306303e+00
|
||||
25 8.7057868525259485e-01 -2.1107464223277367e-01 1.5879327805610304e+00
|
||||
46 -3.9753917854516002e-01 -2.4281161120884387e+00 6.9876030666588704e+00
|
||||
55 2.5948226455978418e-01 -4.0900631398489198e+00 -4.4329605765621904e+00
|
||||
59 3.6188637912145745e+00 2.1658474311903522e+00 -2.4966455538607297e+00
|
||||
63 4.3463965956709023e+00 -5.7493016048605767e+00 3.2560863412779106e-01
|
||||
20 -7.7391777263260906e+00 -5.2342724540718033e-01 6.4824277091981064e-01
|
||||
50 1.8571216863520695e-01 3.9205494367837073e+00 -1.8576545118646930e+00
|
||||
54 2.7979712196026232e+00 -4.2009878972950876e+00 -2.5042160340518138e+00
|
||||
58 3.6594689976906980e+00 -6.9427567793197487e-01 7.8773000509207591e-01
|
||||
62 -5.1022021105629989e+00 4.4653618458221445e+00 -2.4528047863757632e+00
|
||||
28 8.0060825019790338e-01 2.4073976650593969e+00 5.3455779597792477e+00
|
||||
2 -6.4284410820684617e+00 -1.9894118842410569e+00 -2.0119074272464359e+00
|
||||
4 1.0761378638596346e+00 1.3506540014811311e-01 -5.6559613986341910e+00
|
||||
5 -1.0226964787807371e+00 -5.5034334318031704e+00 8.4968495316868742e-01
|
||||
9 -4.6615484411764250e+00 -3.6245143840616842e+00 -4.5525928443167443e+00
|
||||
10 2.6228771258712075e-01 -1.7695774689630435e+00 -2.4036217812779577e+00
|
||||
13 9.4764664531173948e-01 5.7568072616007226e+00 -1.9566737186565777e+00
|
||||
11 3.0821937526256549e+00 -6.7525343415425434e+00 2.0595210149575669e+00
|
||||
12 -5.1947587608873889e+00 -5.5111239452835257e+00 -6.2370307870091555e+00
|
||||
19 -1.8889969861524638e+00 -2.5775217471297580e+00 -9.5846490135697759e-01
|
||||
21 6.9109055234252625e-01 -9.0637034046382270e-01 -7.3200875061337882e+00
|
||||
8 2.0855691509530678e+00 3.1234762747355762e+00 -4.2380649857891548e+00
|
||||
29 -2.5645133031881087e+00 3.2707414621059763e+00 -5.9760659563228975e+00
|
||||
16 3.3561615871740091e+00 -1.7235512311356596e+00 6.8546620719382361e+00
|
||||
27 2.6626074109614257e+00 -4.8824487035100628e-01 2.2463215939167060e+00
|
||||
17 5.4676759723740886e+00 4.8149645136732175e+00 -4.5797881790297534e+00
|
||||
18 -5.6254487783269411e+00 2.8280036616238733e+00 2.2775946470427892e+00
|
||||
24 4.0268519702353522e-01 -9.4384801397092932e-01 -4.1004077349148185e+00
|
||||
26 -9.0290284709195490e-01 -4.1279824598453319e-01 1.4734036561674229e+00
|
||||
32 -2.8113601803223971e+00 -3.4637133712206327e+00 3.2388692481105417e+00
|
||||
3 3.7291790123703505e-01 5.0418966614484724e+00 -1.8944386219202431e-02
|
||||
1 2.6064160595481720e+00 3.1733493639320152e+00 -2.9962126802596867e+00
|
||||
36 -3.4500225871777734e-01 -3.6484043147143077e+00 -4.6127854570157895e-01
|
||||
37 -5.1780456429954160e+00 2.9005970197316882e+00 -1.9109146677325546e+00
|
||||
7 -4.0128657104347187e+00 -4.1942698246003127e+00 7.6358037371075382e-01
|
||||
41 -3.9995258401325662e-01 -3.5673491332867528e+00 -4.4269791600961596e-02
|
||||
45 -1.9370751044809944e+00 2.8595487004431830e-01 -3.7921074366615963e+00
|
||||
15 -1.8808775679916470e+00 6.4712927193613030e+00 -3.8667064978564794e+00
|
||||
44 4.7905078082882548e+00 -4.7686063239762566e+00 4.9849631958514096e-01
|
||||
33 4.5334576000498936e+00 -5.1255175507461272e+00 5.8788497092034779e+00
|
||||
6 -3.4138813927398742e-01 4.1965254501856384e+00 1.6295820475598599e+00
|
||||
49 -6.4665139894018902e+00 -4.7796570404318972e+00 -5.4301967622702261e+00
|
||||
53 2.7239405096565088e+00 3.8778410341278131e+00 2.8212956803496612e+00
|
||||
14 -2.3147495381157883e+00 5.0137175130809695e+00 1.2672503214154052e+00
|
||||
23 3.2730973659862550e+00 5.3647978520243127e+00 1.5760460947160091e+00
|
||||
40 5.8681115056022888e+00 -2.5555657086470598e+00 -1.9185736945695473e+00
|
||||
57 5.4706955248333455e-01 -1.6901453459815567e+00 -6.5298854847136345e-01
|
||||
61 -1.1617906296121197e+00 3.2031258967649876e+00 -1.6519131093739499e+00
|
||||
31 2.9313114356603180e+00 9.9192359289695309e-01 8.4371205219677503e-01
|
||||
48 4.0435368126557805e+00 2.2542969385734208e+00 -1.9622097712351030e+00
|
||||
22 -7.7074375979699949e+00 5.3826506692414577e+00 -3.4086660371764976e+00
|
||||
52 5.0604948986047553e+00 -4.3251500424307938e+00 5.2466196063559627e+00
|
||||
30 -1.9309649892470224e+00 4.0610325584742792e+00 -1.4111807875518345e+00
|
||||
56 -1.4398037292777492e+00 5.0922050222811857e+00 -1.5231351422560362e+00
|
||||
60 -2.3586401663444279e+00 -6.6149057003353606e+00 -3.3904476747968268e+00
|
||||
64 5.6160139995824165e+00 6.2252165512934523e+00 6.5300959010856774e+00
|
||||
35 2.4561350466935026e+00 -5.1779350983190220e+00 2.5063565141049269e+00
|
||||
39 2.0478584393521634e-01 1.1628817589633458e+00 1.6533790874978509e+00
|
||||
42 -5.3953278191144625e+00 -3.0726027723562344e+00 -2.4136088292066518e-01
|
||||
43 -1.1159324203179266e-01 -8.5707375268285855e+00 4.8560236506779320e-01
|
||||
47 2.8929308692555633e+00 2.2376987077384287e+00 6.0722862344458672e+00
|
||||
34 3.7556766831686166e+00 -5.5567698189182013e-01 4.5146116239050049e-01
|
||||
38 -1.6827392499482428e+00 -3.2249867743527743e+00 2.1221499243998383e+00
|
||||
51 -1.7328156337978344e+00 4.1114754026224682e+00 4.9683989313620307e+00
|
||||
46 6.2243842744659084e-01 -3.1132272922744511e+00 8.0184356980255238e+00
|
||||
55 2.5983790393762567e-02 -3.7932385314603665e+00 -3.2529207105424476e+00
|
||||
59 4.0783392061320560e+00 1.8702149414754154e+00 -1.9520143148375737e+00
|
||||
63 8.5318360113418468e+00 -1.0716110293219621e+00 -3.0838079119642754e+00
|
||||
50 -4.5186944717635411e+00 7.7642615579205776e-01 1.6773835851206986e+00
|
||||
54 6.2796992329714940e-01 3.0057545019380294e+00 5.8373247242377198e-02
|
||||
58 3.5386252221039540e+00 -3.5140458991781304e-01 7.3232643627886984e-01
|
||||
62 -2.8330884129493548e+00 6.1396705491527532e+00 -2.9199756394784822e+00
|
||||
25 4.5314736481101126e-01 -8.4352784134735936e-01 5.3236718065537580e+00
|
||||
20 -3.4345613967938782e+00 4.2350346298868669e+00 6.0567433903552494e+00
|
||||
28 -1.3042049508762901e+00 -2.9347623554693669e-01 9.6983385398395061e+00
|
||||
...
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
---
|
||||
lammps_version: 5 May 2020
|
||||
date_generated: Wed May 27 06:34:15 202
|
||||
epsilon: 1e-13
|
||||
epsilon: 5.0e-13
|
||||
prerequisites: ! |
|
||||
pair gw
|
||||
pre_commands: ! |
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
---
|
||||
lammps_version: 5 May 2020
|
||||
date_generated: Wed May 27 06:35:40 202
|
||||
epsilon: 1e-13
|
||||
epsilon: 5.0e-13
|
||||
prerequisites: ! |
|
||||
pair gw/zbl
|
||||
pre_commands: ! |
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
---
|
||||
lammps_version: 5 May 2020
|
||||
date_generated: Wed May 27 06:37:35 202
|
||||
epsilon: 1e-13
|
||||
epsilon: 7.5e-12
|
||||
prerequisites: ! |
|
||||
pair lcbop
|
||||
pre_commands: ! |
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
---
|
||||
lammps_version: 5 May 2020
|
||||
date_generated: Wed May 27 06:42:57 202
|
||||
epsilon: 1e-13
|
||||
epsilon: 1.0e-12
|
||||
prerequisites: ! |
|
||||
pair nb3b/harmonic
|
||||
pre_commands: ! |
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
---
|
||||
lammps_version: 5 May 2020
|
||||
date_generated: Tue May 26 18:05:25 202
|
||||
epsilon: 1.0e-13
|
||||
epsilon: 5.0e-13
|
||||
prerequisites: ! |
|
||||
pair tersoff
|
||||
pre_commands: ! |
|
||||
|
|
|
|||
|
|
@ -0,0 +1,155 @@
|
|||
---
|
||||
lammps_version: 5 May 2020
|
||||
date_generated: Wed May 27 10:27:56 202
|
||||
epsilon: 5e-13
|
||||
prerequisites: ! |
|
||||
pair tersoff/mod
|
||||
pre_commands: ! |
|
||||
variable newton_pair delete
|
||||
variable newton_pair index on
|
||||
post_commands: ! ""
|
||||
input_file: in.manybody
|
||||
pair_style: tersoff/mod
|
||||
pair_coeff: ! |
|
||||
* * Si.tersoff.mod Si Si Si Si Si Si Si Si
|
||||
extract: ! ""
|
||||
natoms: 64
|
||||
init_vdwl: -271.724273648021
|
||||
init_coul: 0
|
||||
init_stress: ! |2-
|
||||
4.5327307609410205e+01 4.8520624491107604e+01 4.9902937603449253e+01 -9.5506101395831298e+00 3.2604807162960689e+01 3.7958926469664576e+00
|
||||
init_forces: ! |2
|
||||
2 -2.0954555386253175e+00 -1.7654085262330996e+00 -1.8532577270904687e+00
|
||||
5 -2.2339471154402837e+00 -4.0007755923806543e-01 1.2555572333857423e-01
|
||||
4 -2.5214919613545850e+00 3.0505938787742286e+00 8.5556867413215443e-01
|
||||
9 -6.9326758274324463e-01 -2.8733710553178735e+00 -2.4740438488877459e+00
|
||||
11 3.7082399304089573e+00 -4.4335060560642923e+00 3.5780289702018742e+00
|
||||
13 -1.0545105917528061e+00 5.9534933227328537e+00 -1.2541339268562639e+00
|
||||
8 3.0016862396459665e-01 9.5380838768747189e-01 -1.3651064654046985e+00
|
||||
27 2.9093832181966754e+00 -5.2366747707677330e-01 1.7866950461283688e+00
|
||||
12 -6.2207601922482070e+00 -4.2728239828918628e+00 -3.8672463790561697e+00
|
||||
16 2.0376392283211429e+00 4.1379151497049238e-02 7.3383531261943142e+00
|
||||
17 2.5868961445484078e+00 3.3855091049241492e+00 -4.3525116836709090e+00
|
||||
18 -2.0691760334270426e-01 1.1174781095513309e-01 3.9956653276596352e+00
|
||||
21 1.9661997284095161e+00 5.8407645448956558e-01 -2.1403769815463689e+00
|
||||
19 -1.7181968595197383e+00 -3.2977071933364361e+00 -6.7298506096511712e-01
|
||||
29 -3.7917232870403828e+00 1.3473159628039733e+00 -1.9274546986124070e+00
|
||||
24 2.5151508371365803e+00 1.4617337639339523e+00 3.4414267080105279e+00
|
||||
26 5.9916481607206099e-02 -5.7366071373394834e-01 1.3123953222317672e+00
|
||||
1 -1.1892795399502762e+00 3.4257359265649283e+00 1.7874368716815203e+00
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
run_vdwl: -275.301478992035
|
||||
run_coul: 0
|
||||
run_stress: ! |2-
|
||||
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|
||||
run_forces: ! |2
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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||||
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|
||||
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||||
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||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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||||
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|
||||
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|
||||
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||||
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|
||||
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|
||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
38 -7.3772928279941330e-01 -4.1206466474823134e-01 8.1055291957532338e-01
|
||||
25 9.9066935306998383e-01 7.2437726480663378e-02 1.3350031099311763e+00
|
||||
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|
||||
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|
||||
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|
||||
50 -2.7853337957895841e-01 2.9097717579818072e+00 -1.4137445645426245e+00
|
||||
55 9.6254861475545161e-01 -2.6805899881839550e+00 -3.7502045244401114e+00
|
||||
28 7.5588400802775713e-01 2.3309525558710038e+00 4.2272028065549829e+00
|
||||
63 2.1942936363061740e+00 -4.7135611317994410e+00 -3.4789973397550722e-01
|
||||
54 2.7053985262594291e+00 -3.5967294897899285e+00 -2.2499455897230054e+00
|
||||
20 -5.8899125313851677e+00 1.4239019516227858e-01 5.7788343738746750e-01
|
||||
62 -3.4780481910334862e+00 3.0637872432615314e+00 -2.3553887395800706e+00
|
||||
...
|
||||
|
|
@ -0,0 +1,155 @@
|
|||
---
|
||||
lammps_version: 5 May 2020
|
||||
date_generated: Wed May 27 10:28:17 202
|
||||
epsilon: 5e-13
|
||||
prerequisites: ! |
|
||||
pair tersoff/mod/c
|
||||
pre_commands: ! |
|
||||
variable newton_pair delete
|
||||
variable newton_pair index on
|
||||
post_commands: ! ""
|
||||
input_file: in.manybody
|
||||
pair_style: tersoff/mod/c
|
||||
pair_coeff: ! |
|
||||
* * Si.tersoff.modc Si Si Si Si Si Si Si Si
|
||||
extract: ! ""
|
||||
natoms: 64
|
||||
init_vdwl: -270.221167046491
|
||||
init_coul: 0
|
||||
init_stress: ! |2-
|
||||
3.7721371080158519e+01 4.0406255097836009e+01 4.5487367411373484e+01 -4.8266606949369901e+00 4.8727889805432568e+01 1.1408515692636302e+01
|
||||
init_forces: ! |2
|
||||
2 -2.6231172245796350e+00 -1.1364993928076723e+00 -2.3817153144708119e+00
|
||||
5 -2.1612651325906471e+00 -4.9869587691769302e-01 1.7250163832481702e-01
|
||||
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|
||||
9 -8.3063920816990322e-02 -3.7423608933633652e+00 -3.2160720450535623e+00
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
52 7.4960119597573005e+00 -7.9932429491872048e+00 7.3092067723825780e+00
|
||||
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|
||||
58 2.7864038109729163e+00 -1.4751542377211930e+00 1.8723178449480449e+00
|
||||
64 5.1815592623345079e+00 6.0301829566070024e+00 1.0737893845502111e+01
|
||||
39 5.0768954315972890e+00 -7.0255010522737926e-01 -5.9161474934557994e+00
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
55 2.0540824843371199e+00 -4.5011288518162811e+00 -5.8606842068916176e+00
|
||||
28 7.8372315678940652e-01 2.2486288715348084e+00 5.6768795736306181e+00
|
||||
63 3.8818660647417813e+00 -6.6892167616182174e+00 6.9165485826786144e-01
|
||||
54 3.3983704274453550e+00 -4.0220846635515732e+00 -2.4796461202922617e+00
|
||||
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|
||||
62 -4.7911545216150282e+00 4.3378864433672462e+00 -2.6608977921209904e+00
|
||||
run_vdwl: -275.794870368791
|
||||
run_coul: 0
|
||||
run_stress: ! |2-
|
||||
3.2474795701510089e+01 3.4510987071484891e+01 3.8695007722179838e+01 -3.8232466751064074e+00 3.3193703212455567e+01 1.1651133689747770e+01
|
||||
run_forces: ! |2
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
14 -2.3872510774898710e+00 4.6964545685072867e+00 8.7144933207622108e-02
|
||||
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|
||||
49 -3.3521487664968794e+00 -5.6726783066381348e+00 -3.1052568895711494e+00
|
||||
23 2.6910591392000378e+00 4.5217377435987434e+00 1.2431414293232086e+00
|
||||
31 -1.2137577282937255e+00 2.0268100180314703e+00 -9.7395850996118805e-02
|
||||
3 8.4923996979905203e-01 3.1418762059340777e-01 -6.3912272072932219e-01
|
||||
22 -5.2188836792454518e+00 4.2555634530532211e+00 -4.3873476691850408e+00
|
||||
30 -1.3462238630781862e+00 1.0418545293477948e+00 -1.1016639019306111e+00
|
||||
60 -3.7574605564721586e+00 -6.0307875427419715e+00 -3.5246947220861968e+00
|
||||
35 1.3345226768554266e+00 5.0029742209038197e-01 2.8641229427441424e+00
|
||||
37 -1.7805140255845884e+00 1.2140214584480664e+00 -2.2265073901788459e+00
|
||||
41 2.0874661037264897e-01 -6.9701598297907597e-01 -5.8203495844387154e-01
|
||||
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|
||||
36 -1.1217877109611538e+00 -2.7359037710368241e+00 -2.2514663503374624e-01
|
||||
40 4.7957022364437663e+00 -2.0725765651572310e+00 -2.6958077632617914e+00
|
||||
42 -4.5351533556579531e+00 -2.3915196071777896e+00 2.1058309538404144e-01
|
||||
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|
||||
53 4.3693214239702955e+00 3.9811506175295404e+00 2.6445458170463865e+00
|
||||
51 -2.3394093576305144e+00 2.7664815454176295e+00 4.3509700303650565e+00
|
||||
57 1.1433821124718713e-01 -1.5670170198273878e+00 -2.0814868576955831e-01
|
||||
61 -8.9293024279856215e-01 2.0033343537690698e+00 -1.2487352376829823e+00
|
||||
52 4.7940149473631690e+00 -4.9119221166835381e+00 4.2517331562128842e+00
|
||||
56 -5.8211143716302594e-01 -3.9743235564492085e-01 -2.0095025235163426e+00
|
||||
58 2.6695231003096840e+00 -1.0533780221295008e+00 1.3662688329066752e+00
|
||||
64 3.9217198033909910e+00 3.9105913229570115e+00 7.5376626537329443e+00
|
||||
39 3.5017506527775359e+00 -5.3565729084921365e-01 -4.3470655497656310e+00
|
||||
43 1.2286706775182532e+00 -5.5089849808766029e+00 -7.0217100291119161e-01
|
||||
47 3.0542841751222456e+00 1.6659726007819589e+00 8.9127795507627994e-01
|
||||
38 -6.4050934363464929e-01 -6.1238442484364475e-01 7.1329619936905031e-01
|
||||
25 9.7835650126070939e-01 1.6204200310558764e-01 1.3301639932222076e+00
|
||||
46 -3.0446016113671648e-02 -1.6054137540965632e+00 5.9779174764707381e+00
|
||||
59 3.3933409795739005e+00 2.5675383553329434e+00 -3.2731885334332276e+00
|
||||
34 5.4922745006786333e-01 9.3065731147143449e-02 2.1724391371509988e-01
|
||||
50 -9.3103591718884804e-01 3.5400288054672151e+00 -2.2077966214036970e+00
|
||||
55 8.7397374494345714e-01 -3.0225604582538672e+00 -4.1352355112113433e+00
|
||||
28 6.4648962756636141e-01 2.6064822661580873e+00 4.6206112630123641e+00
|
||||
63 3.1330925571892028e+00 -5.7967556323730109e+00 4.6233787916491820e-01
|
||||
54 2.7201019549059295e+00 -3.5163356288233216e+00 -2.0564993136098142e+00
|
||||
20 -7.3523997387218074e+00 -8.8938490118371005e-01 1.6456233535658136e+00
|
||||
62 -3.9929704993382833e+00 3.2977536362004498e+00 -2.1647714388871426e+00
|
||||
...
|
||||
|
|
@ -0,0 +1,155 @@
|
|||
---
|
||||
lammps_version: 5 May 2020
|
||||
date_generated: Wed May 27 10:29:02 202
|
||||
epsilon: 5e-12
|
||||
prerequisites: ! |
|
||||
pair tersoff/zbl
|
||||
pre_commands: ! |
|
||||
variable newton_pair delete
|
||||
variable newton_pair index on
|
||||
post_commands: ! ""
|
||||
input_file: in.manybody
|
||||
pair_style: tersoff/zbl
|
||||
pair_coeff: ! |
|
||||
* * SiC.tersoff.zbl Si Si Si Si C C C C
|
||||
extract: ! ""
|
||||
natoms: 64
|
||||
init_vdwl: -154.312424904672
|
||||
init_coul: 0
|
||||
init_stress: ! |-
|
||||
-5.4522412416158102e+02 -5.4620277297655377e+02 -5.5815536323162701e+02 -1.7213270572024335e+01 -7.7594128912815306e+00 5.4428966311706318e+01
|
||||
init_forces: ! |2
|
||||
2 3.7509929454128033e+00 -1.1608422146949774e+01 5.9829237011901226e-01
|
||||
5 2.8065933831668208e+00 4.1360726535826693e+00 6.5929843993713302e+00
|
||||
4 1.4187200625138665e+00 5.9303547363431663e-01 1.0375888219204084e+01
|
||||
9 -1.4162689681759806e+01 -6.0833719091296479e-02 6.5862389183669001e-01
|
||||
11 2.3782322441244537e+00 2.8028996002466671e+00 8.3974909855476199e+00
|
||||
13 -1.7339461509015812e+00 -6.2656293614589265e-01 1.4680700372946309e+00
|
||||
8 -3.1266026325384808e+00 2.7397841938566925e-01 -1.4637526104090299e+00
|
||||
27 3.3486790257685142e+00 -7.6427425596683571e+00 6.9823818008918426e-01
|
||||
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|
||||
16 -6.9180189161072780e+00 6.0016649351285860e+00 5.2030407483493528e+00
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
7 -3.5965225360426096e+00 -7.2511307484456236e+00 -3.6830937953307998e+00
|
||||
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|
||||
33 -7.5775036922654033e+00 -5.9605069713583001e+00 4.1414777448263917e+00
|
||||
6 6.5638996551157218e+00 -1.5686673063102741e+00 1.7631493864177592e+00
|
||||
10 -4.1588593526494853e+00 1.9471124735881842e+00 -4.7275429783999288e+00
|
||||
14 5.8837298095438388e+00 4.0439697767810125e+00 -7.0902659577335854e+00
|
||||
44 7.8526164522640796e-01 2.4185951124909324e+00 1.2604481861672642e+01
|
||||
49 -5.2670245468846746e+00 6.9877705136631088e+00 -5.1191274136784921e+00
|
||||
23 6.4376905136579818e+00 -7.0439226225786209e+00 4.6084176140211843e+00
|
||||
31 7.0252868086935667e+00 -3.4623097800839489e+00 -1.1862906778911682e+00
|
||||
3 2.6417923119560638e-01 2.2717446840373618e+00 -1.9580554374326651e+00
|
||||
22 5.7383565771653142e+00 4.8828947154874278e+00 -7.9926266338824732e+00
|
||||
30 8.5847044839182303e+00 -3.5987773729518682e+00 1.9210111641479415e+00
|
||||
60 -5.4343710487746817e+00 7.8480050696419266e+00 -4.6430620541349326e+00
|
||||
35 -1.7413957750584443e+00 -9.7866905973519476e+00 9.2507002642295422e-01
|
||||
37 -2.5316818073756524e+00 2.4727832341958438e+00 5.3238709757802045e+00
|
||||
41 -6.1063699317217113e-01 2.7151522550600631e+00 9.2123263221338334e+00
|
||||
45 -8.0247682250156345e+00 4.9293205753843372e+00 -6.0682015920462939e+00
|
||||
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|
||||
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|
||||
42 6.2163089480270228e+00 -2.7694305062107678e+00 -5.7921208552013903e+00
|
||||
48 -8.5076653112250291e+00 -7.1852711589841762e+00 5.5735000792544982e+00
|
||||
53 4.9486726742870886e+00 1.0898234069639925e+00 1.0082593834352190e+01
|
||||
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|
||||
57 -4.0457598988134817e+00 9.3402867028335077e+00 3.6326633592191828e+00
|
||||
61 -2.5195325804478843e+00 -1.2692534018971337e+01 -1.0104567253349769e-01
|
||||
52 -1.1984284285057771e-01 1.1918867317733057e+00 3.9396044306165670e+00
|
||||
56 -1.1393680684316139e+00 3.9820344303361921e+00 5.3281327318845495e-01
|
||||
58 -9.5259925551691484e+00 -3.0439646719749209e+00 5.4130118641158047e+00
|
||||
64 5.1854732626889648e+00 5.4062029912491161e+00 -7.4682505070688565e+00
|
||||
39 6.6090376159255850e+00 -4.8443063100623718e+00 8.3554827564728651e+00
|
||||
43 -8.7180001448292499e-01 1.7901126742696198e+00 1.5519575254278921e+00
|
||||
47 2.1314788601538375e+00 3.3362663032911404e+00 8.4585802162670074e+00
|
||||
38 -4.3233426310435874e-01 4.8360652833090603e+00 -1.9586012106375454e+00
|
||||
25 -3.4489436588305233e+00 -3.5502395499027601e+00 -6.7416968668150439e+00
|
||||
46 -7.1949455773882338e+00 6.5987259516018728e+00 5.4937477906872818e+00
|
||||
59 6.1684616977984712e+00 6.7515296579212762e+00 -8.2182898830145366e+00
|
||||
34 -9.0946996290491056e-01 1.2572967653270477e+00 -5.2123947596604268e+00
|
||||
50 6.7159251463526664e+00 -1.9613746718933034e+00 -1.5344273158709154e+00
|
||||
55 1.0985523411199667e+01 3.8088963907017875e-01 -2.0149022524288043e+00
|
||||
28 -5.4974820053188704e+00 -5.2192989519390922e+00 2.9981122024503728e+00
|
||||
63 -5.8030976211176633e+00 -5.8640980265649132e+00 -4.9661385661230621e+00
|
||||
54 1.9535564702196746e+00 2.2045675779591183e+00 -1.0184339640672373e+01
|
||||
20 3.4388871104450129e+00 -3.8200104001389068e-02 5.1166837878832272e-01
|
||||
62 2.6584101684745818e+00 9.8218829465888779e-02 2.4244336018167600e-01
|
||||
run_vdwl: -168.515804855579
|
||||
run_coul: 0
|
||||
run_stress: ! |-
|
||||
-5.1841557043298781e+02 -5.1892174147548633e+02 -5.2617752502111762e+02 -1.1314531552299417e+01 8.7875167476580707e+00 5.1815980028093890e+01
|
||||
run_forces: ! |2
|
||||
2 3.2776810672840515e+00 -1.3085871606564051e+01 1.1806494551293618e+00
|
||||
5 2.4299243014499536e+00 5.0866323414920460e+00 9.7139919882983641e+00
|
||||
4 3.8787767570488025e+00 1.0720562363070822e+00 9.5864034165261582e+00
|
||||
9 -1.2006758069598721e+01 -1.0775761244461626e-01 1.0576688982994074e+00
|
||||
11 3.8346282033681951e+00 4.2063245193633296e+00 9.1383763500636750e+00
|
||||
13 -2.7554683698851719e+00 7.3965653975875301e-01 2.5875764021965244e+00
|
||||
8 -2.4926478080666103e+00 8.1851419495890321e-01 -2.6565204652884225e+00
|
||||
27 3.6594088209184088e+00 -5.8213707201333351e+00 -9.7349396071893537e-02
|
||||
12 5.6014613299568596e+00 -4.5852098712070246e+00 -3.4691765391064520e+00
|
||||
16 -5.9881602539519481e+00 5.1615703973749332e+00 3.9522722890022290e+00
|
||||
17 7.8066454734355712e+00 1.9356843569113025e+00 4.0183959460032330e+00
|
||||
18 -4.2048129687598035e+00 -4.0107703447097283e+00 4.1242761620578161e+00
|
||||
21 -2.0059193900008001e+00 -8.2626725133010037e+00 7.9178047700536291e-01
|
||||
19 1.2413487667153138e+00 -4.3779805564052214e+00 -7.2463002623400321e+00
|
||||
29 -1.3801123684640757e+00 7.7648130182871817e+00 2.3498640537061890e+00
|
||||
24 2.8041674125680007e+00 7.0833805099855329e+00 4.9750118173063154e+00
|
||||
26 1.9053152499257546e+00 -1.7517119961442660e+00 -8.4726338069977398e+00
|
||||
1 -9.1301609181552656e+00 1.1957683204487815e+00 -4.5460157073376077e+00
|
||||
32 5.3497803111618376e+00 2.2838226340208188e+00 -1.9283210626990019e+00
|
||||
7 -7.7439181529068757e-01 -4.8310181062524213e+00 -6.0078686870229205e+00
|
||||
15 -4.6144395917172876e-01 2.3640466933840187e-01 -1.1865629739424508e+01
|
||||
33 -5.9972742663279579e+00 -3.4333507575957460e+00 2.3025591247805979e+00
|
||||
6 5.0985768567980276e+00 -2.8555457774588864e+00 2.6253842585461493e+00
|
||||
10 -4.8060944156753980e+00 -2.6906377370548809e+00 -3.2193306503164898e+00
|
||||
14 4.4201029530371860e+00 2.6546408449900443e+00 -5.5339107464515802e+00
|
||||
44 -8.9645973513136368e-01 2.8454341478593514e-01 1.2778900767085311e+01
|
||||
49 -3.2314428261947796e+00 5.1411738528568511e+00 -2.7914758327825977e+00
|
||||
23 7.0325744091503566e+00 -7.0223702574030256e+00 5.3077646024130116e+00
|
||||
31 5.9377496148015423e+00 -4.4922784551999351e-01 -4.0773550421387643e+00
|
||||
3 1.8315841558517838e+00 1.3262909027211442e+00 -2.9986780541343045e+00
|
||||
22 5.8364843151195656e+00 4.4196082996900588e+00 -7.6558901741958403e+00
|
||||
30 6.9424985761025138e+00 -1.5365468622633238e+00 1.0924482547129712e+00
|
||||
60 -3.4830354675710242e+00 6.0076208382264751e+00 -2.8700155510928020e+00
|
||||
35 -2.9795968885401094e+00 -8.5885588128963448e+00 1.4525876983612640e+00
|
||||
37 -5.4798081033351140e+00 4.3891901412370453e+00 7.8219815334416278e+00
|
||||
41 -2.4325575558185237e+00 1.3608400669370035e+00 1.0325858665182825e+01
|
||||
45 -5.6032890374369204e+00 4.6996820031013522e+00 -8.0230836793876730e+00
|
||||
36 -2.9014668114053594e+00 6.9215485497600540e+00 -2.6287602960505483e+00
|
||||
40 -3.4421192945532586e-02 -6.7084512524494011e-01 -2.7259226462323105e+00
|
||||
42 5.5797723756711779e+00 -2.1376550929874067e+00 -4.0413495715073200e+00
|
||||
48 -6.1840116866801207e+00 -7.2532543764210109e+00 7.9062093908630056e+00
|
||||
53 5.3787811655827769e+00 1.3525171052070943e+00 8.4804933473882471e+00
|
||||
51 -1.1573799806332197e+01 -1.5119534851867609e+00 -2.3549528277235590e+00
|
||||
57 -2.6975098048400517e+00 1.0504487768024228e+01 2.3461539049689519e+00
|
||||
61 -3.9256945420303895e+00 -1.1566074896871783e+01 -2.4769887519388551e+00
|
||||
52 -2.0099195969716588e+00 -4.3653471871907124e-01 2.8132126631806047e+00
|
||||
56 3.8928323724490936e+00 4.3247888544127688e+00 5.5261512377621991e-01
|
||||
58 -9.8957591837494618e+00 -1.0753274251205771e+00 3.8521254579996631e+00
|
||||
64 3.3724731165803483e+00 3.2200570250582743e+00 -5.4250274767730042e+00
|
||||
39 5.5046258795003506e+00 -3.6734121933735961e+00 7.8548197056507121e+00
|
||||
43 -1.3459189031983463e+00 1.1486677610790905e+00 2.1193773133864147e+00
|
||||
47 4.0131015467795255e+00 -1.1094771865954856e-01 7.2472616550054099e+00
|
||||
38 -1.4114452832435900e+00 6.2046846182972999e+00 -3.9380910474694599e+00
|
||||
25 -4.1774709120449858e+00 -4.9678314741113541e+00 -6.2607312380148255e+00
|
||||
46 -6.9158221680072787e+00 6.3575947622331599e+00 5.1651381663367077e+00
|
||||
59 6.3773097304508113e+00 4.3409941136654648e+00 -6.9533437007241155e+00
|
||||
34 7.0071644178570391e-01 9.6756304631948331e-01 -8.7521477682404800e+00
|
||||
50 4.8382411105825529e+00 -1.5201401041732816e+00 9.3971670483645164e-01
|
||||
55 9.4611642726669309e+00 4.9437887022790628e-01 -1.6092705652227484e+00
|
||||
28 -3.2397345588226778e+00 -2.7462426540062821e+00 3.7542506318260926e-01
|
||||
63 -3.2853115933185668e+00 -4.1199055035244392e+00 -5.8243046369201750e+00
|
||||
54 1.1694727578627844e+00 7.7340028625284152e-01 -1.0541423347485072e+01
|
||||
20 3.3996176655745556e+00 -5.7342465446724944e-02 5.4967688817860072e-01
|
||||
62 3.1309032507858996e+00 7.7916774786999388e-01 -3.9410827378090074e-01
|
||||
...
|
||||
|
|
@ -0,0 +1,155 @@
|
|||
---
|
||||
lammps_version: 5 May 2020
|
||||
date_generated: Wed May 27 10:58:14 202
|
||||
epsilon: 5e-13
|
||||
prerequisites: ! |
|
||||
pair vashishta
|
||||
pre_commands: ! |
|
||||
variable newton_pair delete
|
||||
variable newton_pair index on
|
||||
post_commands: ! ""
|
||||
input_file: in.manybody
|
||||
pair_style: vashishta
|
||||
pair_coeff: ! |
|
||||
* * SiC.vashishta Si Si Si Si C C C C
|
||||
extract: ! ""
|
||||
natoms: 64
|
||||
init_vdwl: -313.692565300211
|
||||
init_coul: 0
|
||||
init_stress: ! |-
|
||||
-1.6865844788070896e+02 -1.6802557677032220e+02 -1.7078202792877408e+02 1.2410655645813289e+00 -1.2389436818899767e+01 1.3028516323660728e+00
|
||||
init_forces: ! |2
|
||||
2 1.4047821022916134e+00 -3.4557466406036697e-01 7.9241501680828397e-01
|
||||
4 1.5843160204105311e-01 -1.1028096475846372e+00 -2.5757543801235155e-01
|
||||
5 -7.4244711251462892e-01 5.0759473728923621e-01 4.7756151075234277e-01
|
||||
6 -3.3887593589521825e-01 -5.0889866087169999e-02 4.4291059542940481e-01
|
||||
7 6.2397209388287966e-01 1.5650484499784467e-01 1.1451269815786989e+00
|
||||
8 5.2818538291552497e-01 4.4023965758370026e-01 -2.6801464948869519e-01
|
||||
9 -7.0475179471280924e-01 1.4836164038322393e-02 8.0074140958481965e-01
|
||||
10 -6.5223518994630725e-01 -7.0165070270421925e-01 -2.1536894255035988e-01
|
||||
11 -3.7259714037422187e-01 -2.1888537767830751e-01 5.0838294742217438e-01
|
||||
12 5.5060158706628637e-01 -2.0160641829856840e-01 9.4385633652860013e-02
|
||||
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|
||||
14 -1.5936326739193174e-01 -3.5321279713531106e-01 1.8749544517274300e-02
|
||||
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|
||||
16 -2.8658934277608583e-01 -4.1838870583984722e-01 -8.4865232124881129e-01
|
||||
17 4.3921950961262524e-01 1.3242362092979842e-01 9.5220992145353334e-01
|
||||
27 2.4765427605642529e-01 9.0700726983259783e-01 -2.1059681289778287e-01
|
||||
33 -7.3377879347892039e-01 -1.0878799779475634e-01 -5.1965132343626030e-01
|
||||
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|
||||
3 1.3708556794578625e-01 8.5411982846933887e-01 -8.9498891697744809e-01
|
||||
18 -8.4631731921500775e-01 -4.4236636472213586e-01 -3.1161952459012032e-01
|
||||
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|
||||
21 -1.4865820075390945e-01 1.8932934602799723e-01 8.2154184263142627e-01
|
||||
22 1.0215672350121201e+00 1.4715761910049885e-01 1.2993874645585812e-01
|
||||
23 3.1140118096630404e-01 -6.0032762314866581e-02 -5.7046540879039520e-01
|
||||
24 2.5897896904458467e-01 -1.0967568239388985e+00 2.3332780290403404e-01
|
||||
26 7.0517946746267501e-01 3.1761242834462411e-01 -1.8447687215244010e-01
|
||||
49 -8.2810885661784617e-01 1.0170766851786808e+00 2.9499403002766433e-01
|
||||
1 4.0652502956324721e-01 -9.1496946301617188e-01 -6.3694160827578861e-01
|
||||
29 -2.5096614495371911e-01 -3.2280555204710809e-01 -7.8829051869479860e-02
|
||||
30 -2.8339564737837886e-01 -1.3874935555614967e-01 5.7662645971782236e-03
|
||||
31 3.8758881586559812e-01 -9.1841528714741216e-02 2.7177297384787469e-01
|
||||
32 8.5960795958976344e-01 3.3606082318697572e-01 -2.1871847942185818e-01
|
||||
60 8.2145040521668156e-02 8.8970915666282513e-01 6.3991924667120936e-01
|
||||
25 -1.2009733494362101e-01 2.3145989727328486e-01 -1.4422393173147061e-01
|
||||
35 -3.3534537127094532e-01 7.6315277915305957e-01 1.9786863030810564e-01
|
||||
36 -8.9374644030954165e-01 2.4197992356056630e-01 -2.6992311959917697e-01
|
||||
37 1.0210562060212902e-01 -6.0820921533480399e-01 3.5865165186771186e-01
|
||||
38 -1.0619990592652044e+00 3.9811077570080400e-01 3.5952328839664549e-01
|
||||
39 8.2791774114859029e-01 3.2894839791485431e-01 6.3343120586878443e-01
|
||||
40 2.5906624332440059e-01 4.1028513744218365e-01 -7.9906606975547689e-01
|
||||
34 9.3511614095840012e-01 9.9555882470179213e-03 -4.4906877782009125e-01
|
||||
41 1.2072922079160947e-01 -4.8949130894176940e-01 -1.3327165972435168e-01
|
||||
42 4.9837527237279194e-01 7.1268817780157856e-01 5.0839531379284941e-01
|
||||
43 4.7552136285959379e-01 2.2253227617700755e-01 2.3144957437005048e-01
|
||||
45 -1.0693159811040500e+00 1.5621567566240435e-01 2.7928292547369132e-01
|
||||
46 1.7624907025999317e-01 -6.2035718807434616e-02 -1.4161651193926755e-01
|
||||
47 -3.2453126051658643e-01 9.4068662506403722e-01 -3.0837177671988286e-01
|
||||
48 -1.5411935359197826e-01 -1.2869344840768573e+00 4.4935347966860295e-01
|
||||
59 -2.6492058959645831e-01 1.0177772361376798e+00 -1.1679570774063064e+00
|
||||
20 8.9690563017530156e-01 2.7650312180803749e-01 1.6742341511708736e-01
|
||||
50 -1.3303889992590097e+00 -1.5530036067511843e-01 -2.8542326186128619e-02
|
||||
51 -4.8616146106178049e-01 -1.6884814295791504e+00 -2.1452095397205029e-01
|
||||
52 -5.5507340820572026e-01 -6.3140391845561972e-03 -9.1783294879880029e-01
|
||||
53 7.2162563010911263e-01 4.8728051695705404e-02 2.4867065203167682e-01
|
||||
54 1.6630503275218989e-01 -4.2637980829713018e-01 -2.6445409529452890e-01
|
||||
55 -2.0441312919315491e-01 4.5571213735911037e-01 -2.2213382067240908e-01
|
||||
56 -8.4770657142837894e-02 -4.9111925904915327e-01 3.1713056895555780e-01
|
||||
58 4.5871855155288627e-01 1.7620429363715145e-01 5.8850394497842418e-01
|
||||
28 1.4145701400013533e-01 5.7253504567460456e-01 -1.1163765815834221e+00
|
||||
57 -1.5333131310312106e-01 3.7092149519733092e-01 1.1759008747976697e-01
|
||||
61 -1.4701074072598794e+00 -7.2902116254680860e-01 -4.0309029925812756e-01
|
||||
62 -2.6745936396158526e-01 2.8111058048742638e-01 1.6204295193993715e-01
|
||||
63 3.3265811552668922e-01 -8.0829164437628798e-01 6.1676655388945945e-01
|
||||
64 2.5167047246154373e-01 2.2796118436162449e-01 -1.2890847486936465e+00
|
||||
run_vdwl: -313.860735066532
|
||||
run_coul: 0
|
||||
run_stress: ! |-
|
||||
-1.6823266272734222e+02 -1.6769002622828248e+02 -1.7052203092220537e+02 1.6390415183743356e+00 -1.1679532092037334e+01 8.3280653475887612e-01
|
||||
run_forces: ! |2
|
||||
2 1.3393977794128566e+00 -2.7348565261442026e-01 8.7655961303357333e-01
|
||||
4 1.9796427463902799e-01 -1.0921013729581110e+00 -2.9042812842603660e-01
|
||||
5 -6.7902521648735226e-01 5.8080284239232793e-01 4.0066311685188527e-01
|
||||
6 -2.8452980230104119e-01 -5.0018672753884857e-02 3.5551068635415151e-01
|
||||
7 5.8572215816797180e-01 1.2640037062834633e-01 1.0942180533161248e+00
|
||||
8 5.4834736203953538e-01 3.9763058063722501e-01 -2.0200882443276269e-01
|
||||
9 -6.6261672013750861e-01 8.6603390966248570e-02 7.1554511072340488e-01
|
||||
10 -5.5929402642412196e-01 -7.1960480457817821e-01 -1.4907250085043805e-01
|
||||
11 -3.3250480870141408e-01 -1.6273718034280316e-01 5.7152914630563867e-01
|
||||
12 5.5602656449431520e-01 -2.0378555616033520e-01 7.8990528833246532e-02
|
||||
13 4.7489008863328686e-01 -6.2440679278521216e-01 -3.7631116796095471e-01
|
||||
14 -2.0609926816794977e-01 -2.7580432590210063e-01 -4.0417350127801004e-02
|
||||
15 2.7394322065681798e-01 9.3892857792986395e-02 3.7982358930011673e-02
|
||||
16 -2.5162804323859178e-01 -3.7771297423259487e-01 -9.8238587852850667e-01
|
||||
17 4.1877939802730868e-01 8.5731711109771958e-02 9.3859218724784710e-01
|
||||
27 3.1723875018509745e-01 8.0840008953553444e-01 -1.3402639439359032e-01
|
||||
33 -8.1204031193767900e-01 -2.5918584535096545e-02 -5.4822621102922708e-01
|
||||
44 2.7166631736183833e-02 6.3755896938460666e-01 3.1019975268431810e-01
|
||||
3 1.5707486941719284e-01 8.1153240527643589e-01 -9.7289836461546320e-01
|
||||
18 -7.2471977878478144e-01 -4.0664368465993972e-01 -3.4553372464886356e-01
|
||||
19 -4.8745937087625535e-02 -6.2356012040857323e-01 2.0727390034813520e-01
|
||||
21 -1.9258260457687104e-01 1.5417500787852179e-01 8.4979385157019172e-01
|
||||
22 9.6739412405966108e-01 1.7094777029994024e-01 1.6519141214180810e-01
|
||||
23 2.9640988596724127e-01 -6.4727860062706630e-02 -5.2331198239284404e-01
|
||||
24 3.1197288934637141e-01 -1.0653738889812776e+00 2.4613115703079824e-01
|
||||
26 6.6963858336879611e-01 2.7536443311377506e-01 -1.3921358926032371e-01
|
||||
49 -9.0057183341478408e-01 9.1800333277327995e-01 2.2039239023465473e-01
|
||||
1 4.8644131471971841e-01 -9.1232608143660543e-01 -6.2310194460362922e-01
|
||||
29 -2.8301007482603474e-01 -2.8409275618929547e-01 -5.7362303628387082e-02
|
||||
30 -3.1800791834958703e-01 -1.4722568793242755e-01 -7.2299408071138382e-02
|
||||
31 3.7785555685247557e-01 7.8528837793268580e-03 2.0510546212129288e-01
|
||||
32 7.8568823142872413e-01 3.7621441926789645e-01 -2.2195231721335040e-01
|
||||
60 1.7324286279956747e-02 8.9299818746122483e-01 6.4705074359535664e-01
|
||||
25 -1.3222157048900707e-01 1.9287824417448718e-01 -1.0687909706274114e-01
|
||||
35 -3.0228449693476567e-01 7.6823424966386022e-01 1.9710074184774423e-01
|
||||
36 -9.1006897873334558e-01 2.2243346236343808e-01 -1.9589687356432450e-01
|
||||
37 1.4230521719479650e-01 -6.5154051987310280e-01 3.9917443593572977e-01
|
||||
38 -1.1292151026630861e+00 4.0635956316044064e-01 3.6653385069281041e-01
|
||||
39 7.7368097436126093e-01 3.3585148445359836e-01 7.5798069110913358e-01
|
||||
40 2.5675490646756788e-01 4.4146779801073416e-01 -7.5832420936942102e-01
|
||||
34 9.0377430089083910e-01 2.3556023563222617e-03 -5.4249181274543457e-01
|
||||
41 7.9683299154939075e-02 -5.0998023619050059e-01 -1.6942094109849781e-01
|
||||
42 5.3489923215345148e-01 6.2583893444475647e-01 5.3150357966827078e-01
|
||||
43 4.3150953366175226e-01 3.4251106617468263e-01 1.8713858579638765e-01
|
||||
45 -1.0266415763007517e+00 1.6282879655478405e-01 2.4889912862867503e-01
|
||||
46 1.6312901571568492e-01 -4.4541049259555897e-02 -1.6364537246217073e-01
|
||||
47 -3.2467268967905150e-01 8.6794088351002507e-01 -1.8425672458764986e-01
|
||||
48 -2.3621080452325272e-01 -1.1969459110188581e+00 5.3625923507429407e-01
|
||||
59 -3.2367672070843334e-01 9.9079666853049564e-01 -1.1595397017822693e+00
|
||||
20 8.1232215990984924e-01 2.8338121278738360e-01 2.3413383735199889e-01
|
||||
50 -1.3715621346135916e+00 -1.6292126845965993e-01 -1.9130145378467800e-02
|
||||
51 -4.9091417055006148e-01 -1.7653094190066536e+00 -1.9135516672542885e-01
|
||||
52 -6.0210124847882640e-01 -2.7443951813942963e-02 -9.4957908163132521e-01
|
||||
53 8.3243980764689196e-01 8.5420859954954353e-02 2.2294347279673232e-01
|
||||
54 1.2671424980101897e-01 -4.6285869425318049e-01 -3.0047230827733917e-01
|
||||
55 -1.7627588718280662e-01 5.2996528719115910e-01 -2.6201418848310271e-01
|
||||
56 -1.0703755083130259e-01 -5.0757765604513283e-01 2.9114293137467201e-01
|
||||
58 4.7688278738147094e-01 1.9738885358609715e-01 6.4289217276979960e-01
|
||||
28 1.6455690667075529e-01 5.7894053910339294e-01 -1.1167034403931775e+00
|
||||
57 -1.0905729896799360e-01 3.2808582473665598e-01 1.2346577335199894e-01
|
||||
61 -1.4935302022207437e+00 -7.9239974668545465e-01 -4.4856933855602110e-01
|
||||
62 -2.1277601252075656e-01 2.1138739770169473e-01 1.6557617222026333e-01
|
||||
63 3.6167529106202745e-01 -7.6209406783076528e-01 6.3677417578544659e-01
|
||||
64 3.3401913832828206e-01 1.9496253621395221e-01 -1.2154197634257087e+00
|
||||
...
|
||||
Loading…
Reference in New Issue