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sjplimp 2010-11-04 14:11:58 +00:00
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LAMMPS (31 Oct 2010)
# 3d Lennard-Jones melt
units lj
dimension 2
atom_style atomic
lattice sq2 0.8442
Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
region box block 0 30 0 15 -0.5 0.5
create_box 1 box
Created orthogonal box = (0 0 -0.769595) to (46.1757 23.0879 0.769595)
1 by 1 by 1 processor grid
create_atoms 1 box
Created 900 atoms
mass 1 1.0
velocity all create 1.44 87287 loop geom
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
timestep 0.003
fix 1 all nve
fix 3 all enforce2d
thermo 100
fix 2 all langevin 1 1 0.1 12345
run 100 pre yes post no
Memory usage per processor = 1.67412 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1.44 -2.6248859 0 -1.1864859 2.0176244
100 0.99023288 -2.0005395 0 -1.0114069 5.9914427
Loop time of 0.04617 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
100 0.99023288 -2.0005395 0 -1.0114069 5.9914427
200 1.0641026 -2.126693 0 -1.0637727 5.3834133
Loop time of 0.045666 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
200 1.0641026 -2.126693 0 -1.0637727 5.3834133
300 1.0404544 -2.1182885 0 -1.0789901 5.4751694
Loop time of 0.0448651 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
300 1.0404544 -2.1182885 0 -1.0789901 5.4751694
400 0.9940782 -2.0913772 0 -1.0984035 5.7006406
Loop time of 0.044888 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
400 0.9940782 -2.0913772 0 -1.0984035 5.7006406
500 1.0533477 -2.1766862 0 -1.1245089 5.1818937
Loop time of 0.0443962 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
500 1.0533477 -2.1766862 0 -1.1245089 5.1818937
600 1.0371191 -2.1708671 0 -1.1349004 5.2128526
Loop time of 0.0447521 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
600 1.0371191 -2.1708671 0 -1.1349004 5.2128526
700 1.0178469 -2.1795112 0 -1.1627952 5.0714199
Loop time of 0.0448291 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
700 1.0178469 -2.1795112 0 -1.1627952 5.0714199
800 1.0220115 -2.1753909 0 -1.1545149 5.1482844
Loop time of 0.044615 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
800 1.0220115 -2.1753909 0 -1.1545149 5.1482844
900 1.0029029 -2.1674923 0 -1.1657037 5.1338534
Loop time of 0.0446992 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
900 1.0029029 -2.1674923 0 -1.1657037 5.1338534
1000 1.0400785 -2.1739867 0 -1.1350638 5.1279779
Loop time of 0.0448501 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
1000 1.0400785 -2.1739867 0 -1.1350638 5.1279779
1100 1.0248051 -2.1763751 0 -1.1527087 5.125636
Loop time of 0.0447941 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
1100 1.0248051 -2.1763751 0 -1.1527087 5.125636
1200 1.0129247 -2.1960205 0 -1.1842213 4.9280331
Loop time of 0.0442801 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
1200 1.0129247 -2.1960205 0 -1.1842213 4.9280331
1300 1.0445891 -2.138322 0 -1.0948936 5.358069
Loop time of 0.044374 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
1300 1.0445891 -2.138322 0 -1.0948936 5.358069
1400 1.0262085 -2.1210161 0 -1.0959478 5.5887816
Loop time of 0.044693 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
1400 1.0262085 -2.1210161 0 -1.0959478 5.5887816
1500 0.9862776 -2.1287449 0 -1.1435631 5.4408715
Loop time of 0.0446811 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
1500 0.9862776 -2.1287449 0 -1.1435631 5.4408715
1600 1.0008092 -2.1637199 0 -1.1640227 5.2714443
Loop time of 0.0442421 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
1600 1.0008092 -2.1637199 0 -1.1640227 5.2714443
1700 1.0258515 -2.1288392 0 -1.1041276 5.4565262
Loop time of 0.0446551 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
1700 1.0258515 -2.1288392 0 -1.1041276 5.4565262
1800 0.99606403 -2.1881474 0 -1.1931901 5.0145909
Loop time of 0.0446119 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
1800 0.99606403 -2.1881474 0 -1.1931901 5.0145909
1900 0.98665733 -2.1993707 0 -1.2138096 4.9672864
Loop time of 0.044836 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
1900 0.98665733 -2.1993707 0 -1.2138096 4.9672864
2000 1.0155716 -2.1239518 0 -1.1095086 5.4592445
Loop time of 0.044791 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
2000 1.0155716 -2.1239518 0 -1.1095086 5.4592445
2100 0.9688746 -2.1712503 0 -1.2034522 5.1417376
Loop time of 0.0446949 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
2100 0.9688746 -2.1712503 0 -1.2034522 5.1417376
2200 1.0162371 -2.1732231 0 -1.1581152 5.1108471
Loop time of 0.0448599 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
2200 1.0162371 -2.1732231 0 -1.1581152 5.1108471
2300 1.0245646 -2.1552369 0 -1.1318107 5.3316927
Loop time of 0.0446439 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
2300 1.0245646 -2.1552369 0 -1.1318107 5.3316927
2400 1.0532627 -2.168732 0 -1.1166396 5.2318175
Loop time of 0.044234 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
2400 1.0532627 -2.168732 0 -1.1166396 5.2318175
2500 1.0110981 -2.1283041 0 -1.1183294 5.470307
Loop time of 0.044275 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
2500 1.0110981 -2.1283041 0 -1.1183294 5.470307
2600 0.99966902 -2.1728149 0 -1.1742566 5.1412453
Loop time of 0.044683 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
2600 0.99966902 -2.1728149 0 -1.1742566 5.1412453
2700 0.99239191 -2.1637551 0 -1.1724659 5.2165707
Loop time of 0.0447261 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
2700 0.99239191 -2.1637551 0 -1.1724659 5.2165707
2800 1.0301978 -2.1548308 0 -1.1257777 5.2638595
Loop time of 0.044596 on 1 procs for 100 steps with 900 atoms
fix 2 all langevin 5 5 0.1 12346
run 100 pre yes post no
Memory usage per processor = 1.67412 Mbytes
Step Temp E_pair E_mol TotEng Press
2800 1.0227564 -2.1548308 0 -1.1332108 5.2575845
2900 5.0485455 -0.28277455 0 4.7601615 20.746781
Loop time of 0.0470662 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
2900 5.0485455 -0.28277455 0 4.7601615 20.746781
3000 4.8862233 -0.017789501 0 4.8630047 22.592756
Loop time of 0.048033 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
3000 4.8862233 -0.017789501 0 4.8630047 22.592756
3100 4.9044567 -0.47959211 0 4.4194152 19.583353
Loop time of 0.0480561 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
3100 4.9044567 -0.47959211 0 4.4194152 19.583353
3200 5.0879915 -0.14346616 0 4.938872 21.75943
Loop time of 0.047853 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
3200 5.0879915 -0.14346616 0 4.938872 21.75943
3300 4.8191113 -0.12521782 0 4.688539 21.66605
Loop time of 0.0484211 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
3300 4.8191113 -0.12521782 0 4.688539 21.66605
3400 5.1800461 -0.14238575 0 5.0319048 21.79606
Loop time of 0.0481231 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
3400 5.1800461 -0.14238575 0 5.0319048 21.79606
3500 5.0607641 -0.16081652 0 4.8943245 21.486658
Loop time of 0.0485091 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
3500 5.0607641 -0.16081652 0 4.8943245 21.486658
3600 5.3373422 -0.41828575 0 4.9131261 20.14676
Loop time of 0.0482152 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
3600 5.3373422 -0.41828575 0 4.9131261 20.14676
3700 5.3202661 -0.30023033 0 5.0141243 20.855754
Loop time of 0.0481288 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
3700 5.3202661 -0.30023033 0 5.0141243 20.855754
3800 4.8588585 -0.10399834 0 4.7494614 21.771522
Loop time of 0.0481648 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
3800 4.8588585 -0.10399834 0 4.7494614 21.771522
3900 4.9193657 0.060661037 0 4.9745608 22.688265
Loop time of 0.0485899 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
3900 4.9193657 0.060661037 0 4.9745608 22.688265
4000 4.9689317 -0.135649 0 4.8277616 21.630946
Loop time of 0.0486522 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
4000 4.9689317 -0.135649 0 4.8277616 21.630946
4100 5.0796995 -0.42489129 0 4.6491641 19.912881
Loop time of 0.047446 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
4100 5.0796995 -0.42489129 0 4.6491641 19.912881
4200 4.9121803 -0.26921478 0 4.6375075 20.682997
Loop time of 0.047961 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
4200 4.9121803 -0.26921478 0 4.6375075 20.682997
4300 5.2480878 -0.25203366 0 4.9902229 21.055825
Loop time of 0.048105 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
4300 5.2480878 -0.25203366 0 4.9902229 21.055825
4400 5.1754321 -0.1379211 0 5.0317606 21.721423
Loop time of 0.0476389 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
4400 5.1754321 -0.1379211 0 5.0317606 21.721423
4500 4.8163772 -0.13665697 0 4.6743687 21.338168
Loop time of 0.048456 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
4500 4.8163772 -0.13665697 0 4.6743687 21.338168
4600 5.1321419 -0.30134093 0 4.8250986 20.640859
Loop time of 0.048126 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
4600 5.1321419 -0.30134093 0 4.8250986 20.640859
4700 5.054895 -0.11869342 0 4.930585 21.525844
Loop time of 0.0480442 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
4700 5.054895 -0.11869342 0 4.930585 21.525844
4800 4.7735419 -0.28788546 0 4.4803525 20.241875
Loop time of 0.048465 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
4800 4.7735419 -0.28788546 0 4.4803525 20.241875
4900 5.1590733 -0.36928517 0 4.7840559 19.906086
Loop time of 0.0482421 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
4900 5.1590733 -0.36928517 0 4.7840559 19.906086
5000 5.172434 -0.21783749 0 4.9488493 21.017977
Loop time of 0.0482352 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
5000 5.172434 -0.21783749 0 4.9488493 21.017977
5100 5.3222066 -0.28431917 0 5.0319738 20.654341
Loop time of 0.0479338 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
5100 5.3222066 -0.28431917 0 5.0319738 20.654341
5200 5.2269814 -0.24120657 0 4.9799671 20.863157
Loop time of 0.0479622 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
5200 5.2269814 -0.24120657 0 4.9799671 20.863157
5300 4.9617285 -0.25596507 0 4.7002504 20.508874
Loop time of 0.047616 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
5300 4.9617285 -0.25596507 0 4.7002504 20.508874
5400 5.1034361 -0.23375901 0 4.8640066 20.874041
Loop time of 0.048399 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
5400 5.1034361 -0.23375901 0 4.8640066 20.874041
5500 5.1033392 -0.023852659 0 5.0738162 21.959054
Loop time of 0.0481031 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
5500 5.1033392 -0.023852659 0 5.0738162 21.959054
5600 4.9693008 -0.3822577 0 4.5815217 19.745578
Loop time of 0.0481269 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
5600 4.9693008 -0.3822577 0 4.5815217 19.745578
5700 4.9504059 -0.16971504 0 4.7751904 20.984851
Loop time of 0.047688 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
5700 4.9504059 -0.16971504 0 4.7751904 20.984851
5800 5.4859652 -0.12581898 0 5.3540507 21.643131
Loop time of 0.0482688 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
5800 5.4859652 -0.12581898 0 5.3540507 21.643131
5900 5.1041625 -0.24499773 0 4.8534935 20.550919
Loop time of 0.0485001 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
5900 5.1041625 -0.24499773 0 4.8534935 20.550919
6000 4.7912324 -0.23215106 0 4.5537577 20.385388
Loop time of 0.0481 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
6000 4.7912324 -0.23215106 0 4.5537577 20.385388
6100 4.8687128 -0.36715522 0 4.4961479 19.616564
Loop time of 0.047904 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
6100 4.8687128 -0.36715522 0 4.4961479 19.616564
6200 5.1633792 -0.42749917 0 4.7301429 19.411301
Loop time of 0.0479479 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
6200 5.1633792 -0.42749917 0 4.7301429 19.411301
6300 5.0233319 0.019274316 0 5.0370247 22.144843
Loop time of 0.048382 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
6300 5.0233319 0.019274316 0 5.0370247 22.144843
6400 4.9283818 -0.080911928 0 4.8419939 21.398618
Loop time of 0.048492 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
6400 4.9283818 -0.080911928 0 4.8419939 21.398618
6500 5.0852451 -0.29922243 0 4.7803724 20.191962
Loop time of 0.0481842 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
6500 5.0852451 -0.29922243 0 4.7803724 20.191962
6600 4.9084541 -0.25046783 0 4.6525324 20.294621
Loop time of 0.048028 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
6600 4.9084541 -0.25046783 0 4.6525324 20.294621
6700 5.158646 -0.24156185 0 4.9113523 20.674148
Loop time of 0.048152 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
6700 5.158646 -0.24156185 0 4.9113523 20.674148
6800 5.0800581 -0.26396878 0 4.8104448 20.254552
Loop time of 0.0481989 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
6800 5.0800581 -0.26396878 0 4.8104448 20.254552
6900 5.0775502 -0.39390401 0 4.6780045 19.376358
Loop time of 0.0482252 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
6900 5.0775502 -0.39390401 0 4.6780045 19.376358
7000 4.9478484 -0.14828675 0 4.7940641 20.564728
Loop time of 0.0481858 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
7000 4.9478484 -0.14828675 0 4.7940641 20.564728
7100 5.1059459 -0.097059214 0 5.0032134 21.193873
Loop time of 0.0478609 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
7100 5.1059459 -0.097059214 0 5.0032134 21.193873
7200 5.1752568 -0.37658971 0 4.7929168 19.495134
Loop time of 0.04796 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
7200 5.1752568 -0.37658971 0 4.7929168 19.495134
7300 5.0979223 -0.059859304 0 5.0323987 21.118636
Loop time of 0.0480049 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
7300 5.0979223 -0.059859304 0 5.0323987 21.118636
7400 4.980172 -0.27439819 0 4.7002403 19.959942
Loop time of 0.047915 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
7400 4.980172 -0.27439819 0 4.7002403 19.959942
7500 5.0625014 -0.1884279 0 4.8684485 20.652757
Loop time of 0.0479548 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
7500 5.0625014 -0.1884279 0 4.8684485 20.652757
7600 4.950022 -0.38785668 0 4.5566653 19.255054
Loop time of 0.047981 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
7600 4.950022 -0.38785668 0 4.5566653 19.255054
7700 5.038467 0.010501622 0 5.0433703 21.612637
Loop time of 0.0483868 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
7700 5.038467 0.010501622 0 5.0433703 21.612637
7800 5.0722091 -0.23929391 0 4.8272794 20.163109
Loop time of 0.0484369 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
7800 5.0722091 -0.23929391 0 4.8272794 20.163109
7900 4.8266996 -0.26738065 0 4.5539559 19.950113
Loop time of 0.0484252 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
7900 4.8266996 -0.26738065 0 4.5539559 19.950113
8000 5.228568 -0.22189741 0 5.0008611 20.340648
Loop time of 0.0480399 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
8000 5.228568 -0.22189741 0 5.0008611 20.340648
8100 5.0226139 -0.32338281 0 4.6936504 19.597461
Loop time of 0.0477419 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
8100 5.0226139 -0.32338281 0 4.6936504 19.597461
8200 4.9067102 -0.1492661 0 4.7519922 20.325845
Loop time of 0.0479119 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
8200 4.9067102 -0.1492661 0 4.7519922 20.325845
8300 5.1266856 -0.22929386 0 4.8916954 20.201339
Loop time of 0.0479472 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
8300 5.1266856 -0.22929386 0 4.8916954 20.201339
8400 5.0589881 -0.45921427 0 4.5941528 18.70978
Loop time of 0.048357 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
8400 5.0589881 -0.45921427 0 4.5941528 18.70978
8500 4.8413482 -0.19493887 0 4.64103 19.954031
Loop time of 0.0475209 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
8500 4.8413482 -0.19493887 0 4.64103 19.954031
8600 5.0908293 -0.54321499 0 4.5419579 18.109321
Loop time of 0.0483789 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
8600 5.0908293 -0.54321499 0 4.5419579 18.109321
8700 5.1796752 -0.2916707 0 4.8822493 19.664654
Loop time of 0.048032 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
8700 5.1796752 -0.2916707 0 4.8822493 19.664654
8800 5.2539084 -0.45997392 0 4.7880968 18.655485
Loop time of 0.0482469 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
8800 5.2539084 -0.45997392 0 4.7880968 18.655485
8900 5.1024558 -0.23247495 0 4.8643114 19.86178
Loop time of 0.0481958 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
8900 5.1024558 -0.23247495 0 4.8643114 19.86178
9000 5.1823165 -0.39916589 0 4.7773924 18.971835
Loop time of 0.0481231 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
9000 5.1823165 -0.39916589 0 4.7773924 18.971835
9100 4.8447578 -0.36539964 0 4.4739751 18.749222
Loop time of 0.0482869 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
9100 4.8447578 -0.36539964 0 4.4739751 18.749222
9200 4.7762145 -0.41137254 0 4.3595351 18.283329
Loop time of 0.0483339 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
9200 4.7762145 -0.41137254 0 4.3595351 18.283329
9300 5.0833877 -0.32352098 0 4.7542185 19.215267
Loop time of 0.0479991 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
9300 5.0833877 -0.32352098 0 4.7542185 19.215267
9400 5.0177659 -0.28646064 0 4.72573 19.284236
Loop time of 0.048521 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
9400 5.0177659 -0.28646064 0 4.72573 19.284236
9500 5.094124 -0.2545962 0 4.8338677 19.49513
Loop time of 0.0480311 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
9500 5.094124 -0.2545962 0 4.8338677 19.49513
9600 5.0240503 -0.35703989 0 4.6614281 18.851793
Loop time of 0.048084 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
9600 5.0240503 -0.35703989 0 4.6614281 18.851793
9700 4.7489492 -0.25367959 0 4.489993 19.113672
Loop time of 0.047981 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
9700 4.7489492 -0.25367959 0 4.489993 19.113672
9800 4.9909149 -0.34688365 0 4.6384858 18.781061
Loop time of 0.0480509 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
9800 4.9909149 -0.34688365 0 4.6384858 18.781061
9900 5.2358495 -0.20088636 0 5.0291455 19.968679
Loop time of 0.0480289 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
9900 5.2358495 -0.20088636 0 5.0291455 19.968679
10000 5.0336433 -0.30070619 0 4.7273442 19.288936
Loop time of 0.0481491 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
10000 5.0336433 -0.30070619 0 4.7273442 19.288936
10100 4.7368529 -0.43300505 0 4.2985846 18.223831
Loop time of 0.047874 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
10100 4.7368529 -0.43300505 0 4.2985846 18.223831
10200 5.1921737 -0.39013066 0 4.796274 18.671159
Loop time of 0.0475681 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
10200 5.1921737 -0.39013066 0 4.796274 18.671159
10300 4.8489929 -0.26376235 0 4.5798428 19.1258
Loop time of 0.04794 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
10300 4.8489929 -0.26376235 0 4.5798428 19.1258
10400 4.8344238 -0.39563076 0 4.4334214 18.406798
Loop time of 0.0483451 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
10400 4.8344238 -0.39563076 0 4.4334214 18.406798
10500 4.7947329 -0.30412973 0 4.4852757 18.895224
Loop time of 0.047621 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
10500 4.7947329 -0.30412973 0 4.4852757 18.895224
10600 5.1411793 -0.14227144 0 4.9931954 19.939056
Loop time of 0.048378 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
10600 5.1411793 -0.14227144 0 4.9931954 19.939056
10700 4.6126242 -0.35662101 0 4.250878 18.178539
Loop time of 0.0480251 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
10700 4.6126242 -0.35662101 0 4.250878 18.178539
10800 5.218192 -0.26093796 0 4.9514561 19.419601
Loop time of 0.0479641 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
10800 5.218192 -0.26093796 0 4.9514561 19.419601
10900 4.9434504 -0.45628696 0 4.4816707 18.016015
Loop time of 0.048048 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
10900 4.9434504 -0.45628696 0 4.4816707 18.016015
11000 5.2502606 -0.29191121 0 4.9525157 19.228121
Loop time of 0.0480599 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
11000 5.2502606 -0.29191121 0 4.9525157 19.228121
11100 4.7598343 -0.37412706 0 4.3804185 18.317182
Loop time of 0.048358 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
11100 4.7598343 -0.37412706 0 4.3804185 18.317182
11200 5.323248 -0.21800357 0 5.0993297 19.810405
Loop time of 0.04793 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
11200 5.323248 -0.21800357 0 5.0993297 19.810405
11300 4.7219543 -0.50822681 0 4.2084808 17.364301
Loop time of 0.0486059 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
11300 4.7219543 -0.50822681 0 4.2084808 17.364301
11400 5.2261295 -0.41060675 0 4.8097159 18.184162
Loop time of 0.0475581 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
11400 5.2261295 -0.41060675 0 4.8097159 18.184162
11500 5.4192661 -0.41967268 0 4.993572 18.44905
Loop time of 0.048496 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
11500 5.4192661 -0.41967268 0 4.993572 18.44905
11600 4.9327793 -0.29827109 0 4.6290273 18.678345
Loop time of 0.0480838 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
11600 4.9327793 -0.29827109 0 4.6290273 18.678345
11700 4.9061719 -0.40278149 0 4.4979391 18.015662
Loop time of 0.0484679 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
11700 4.9061719 -0.40278149 0 4.4979391 18.015662
11800 5.1217904 -0.38967412 0 4.7264254 18.297707
Loop time of 0.047833 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
11800 5.1217904 -0.38967412 0 4.7264254 18.297707
11900 4.898336 -0.52304599 0 4.3698475 17.482045
Loop time of 0.0480511 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
11900 4.898336 -0.52304599 0 4.3698475 17.482045
12000 5.0463402 -0.34458395 0 4.6961492 18.259663
Loop time of 0.048959 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
12000 5.0463402 -0.34458395 0 4.6961492 18.259663
12100 5.2244507 -0.48448431 0 4.7341614 17.921372
Loop time of 0.0479109 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
12100 5.2244507 -0.48448431 0 4.7341614 17.921372
12200 4.9182331 -0.38972269 0 4.5230457 18.065869
Loop time of 0.047838 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
12200 4.9182331 -0.38972269 0 4.5230457 18.065869
12300 5.1236535 -0.50804995 0 4.6099106 17.491542
Loop time of 0.0480042 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
12300 5.1236535 -0.50804995 0 4.6099106 17.491542
12400 4.9892711 -0.35640526 0 4.6273222 18.09428
Loop time of 0.04794 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
12400 4.9892711 -0.35640526 0 4.6273222 18.09428
12500 4.9708898 -0.47291494 0 4.4924516 17.463457
Loop time of 0.0483761 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
12500 4.9708898 -0.47291494 0 4.4924516 17.463457
12600 4.9060868 -0.42653866 0 4.4740969 17.831651
Loop time of 0.047663 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
12600 4.9060868 -0.42653866 0 4.4740969 17.831651
12700 5.0407771 -0.44712314 0 4.5880531 17.595615
Loop time of 0.0484769 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
12700 5.0407771 -0.44712314 0 4.5880531 17.595615
12800 5.0365185 -0.55979777 0 4.4711246 16.934523
Loop time of 0.048032 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
12800 5.0365185 -0.55979777 0 4.4711246 16.934523
12900 5.2486399 -0.34366283 0 4.8991453 18.510825
Loop time of 0.0479882 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
12900 5.2486399 -0.34366283 0 4.8991453 18.510825
13000 5.1541271 -0.40831419 0 4.7400861 17.984905
Loop time of 0.0485048 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
13000 5.1541271 -0.40831419 0 4.7400861 17.984905
13100 4.9252416 -0.37543615 0 4.544333 18.047342
Loop time of 0.0478559 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
13100 4.9252416 -0.37543615 0 4.544333 18.047342
13200 4.7618949 -0.57797993 0 4.178624 16.678145
Loop time of 0.047977 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
13200 4.7618949 -0.57797993 0 4.178624 16.678145
13300 5.0754762 -0.494503 0 4.5753338 17.274009
Loop time of 0.04761 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
13300 5.0754762 -0.494503 0 4.5753338 17.274009
13400 4.7373562 -0.26050743 0 4.471585 18.244677
Loop time of 0.048439 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
13400 4.7373562 -0.26050743 0 4.471585 18.244677
13500 5.2850198 -0.52753121 0 4.7516163 17.30467
Loop time of 0.0479879 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
13500 5.2850198 -0.52753121 0 4.7516163 17.30467
13600 4.962689 -0.43162132 0 4.5255536 17.440072
Loop time of 0.048393 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
13600 4.962689 -0.43162132 0 4.5255536 17.440072
13700 5.0155844 -0.51839355 0 4.491618 16.999978
Loop time of 0.048249 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
13700 5.0155844 -0.51839355 0 4.491618 16.999978
13800 5.1030716 -0.54350825 0 4.5538933 17.135096
Loop time of 0.047961 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
13800 5.1030716 -0.54350825 0 4.5538933 17.135096
13900 4.9484073 -0.32896034 0 4.6139487 17.994498
Loop time of 0.0479271 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
13900 4.9484073 -0.32896034 0 4.6139487 17.994498
14000 5.1556711 -0.39450883 0 4.7554337 18.024111
Loop time of 0.0485859 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
14000 5.1556711 -0.39450883 0 4.7554337 18.024111
14100 5.3411027 -0.33237876 0 5.0027894 18.189551
Loop time of 0.047961 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
14100 5.3411027 -0.33237876 0 5.0027894 18.189551
14200 5.2775385 -0.20079896 0 5.0708756 18.794478
Loop time of 0.0479829 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
14200 5.2775385 -0.20079896 0 5.0708756 18.794478
14300 4.9698674 -0.54120662 0 4.4231387 16.769686
Loop time of 0.048353 on 1 procs for 100 steps with 900 atoms
fix 2 all langevin 3 3 0.1 12347
run 100 pre yes post no
Memory usage per processor = 1.67412 Mbytes
Step Temp E_pair E_mol TotEng Press
14300 4.9315283 -0.54120662 0 4.3848423 16.737356
14400 3.0737982 -1.157576 0 1.9128069 11.390762
Loop time of 0.0469351 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
14400 3.0737982 -1.157576 0 1.9128069 11.390762
14500 3.0997503 -1.1613569 0 1.9349492 11.746787
Loop time of 0.046298 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
14500 3.0997503 -1.1613569 0 1.9349492 11.746787
14600 3.0089981 -1.2950599 0 1.7105948 10.694304
Loop time of 0.0462 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
14600 3.0089981 -1.2950599 0 1.7105948 10.694304
14700 3.0731576 -1.1944523 0 1.8752907 11.177629
Loop time of 0.0471361 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
14700 3.0731576 -1.1944523 0 1.8752907 11.177629
14800 3.0790691 -1.2454277 0 1.8302202 11.050986
Loop time of 0.0467501 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
14800 3.0790691 -1.2454277 0 1.8302202 11.050986
14900 2.9875216 -1.2120329 0 1.7721692 11.196195
Loop time of 0.046731 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
14900 2.9875216 -1.2120329 0 1.7721692 11.196195
15000 3.0023895 -1.1473321 0 1.8517215 11.450509
Loop time of 0.046834 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
15000 3.0023895 -1.1473321 0 1.8517215 11.450509
15100 3.1095672 -1.186375 0 1.9197372 11.392239
Loop time of 0.046701 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
15100 3.1095672 -1.186375 0 1.9197372 11.392239
15200 3.0788594 -1.1581741 0 1.9172643 11.434699
Loop time of 0.0466931 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
15200 3.0788594 -1.1581741 0 1.9172643 11.434699
15300 3.097962 -1.2142726 0 1.8802473 11.060786
Loop time of 0.0467482 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
15300 3.097962 -1.2142726 0 1.8802473 11.060786
15400 3.0085051 -1.2068705 0 1.7982919 11.125663
Loop time of 0.046351 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
15400 3.0085051 -1.2068705 0 1.7982919 11.125663
15500 2.91789 -1.2471287 0 1.6675192 10.908068
Loop time of 0.0467601 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
15500 2.91789 -1.2471287 0 1.6675192 10.908068
15600 3.1592422 -1.320622 0 1.83511 10.315596
Loop time of 0.0463359 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
15600 3.1592422 -1.320622 0 1.83511 10.315596
15700 3.1361836 -1.16244 0 1.9702589 11.474858
Loop time of 0.0472879 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
15700 3.1361836 -1.16244 0 1.9702589 11.474858
15800 3.0412387 -1.2445264 0 1.7933331 10.828289
Loop time of 0.0468159 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
15800 3.0412387 -1.2445264 0 1.7933331 10.828289
15900 3.1318652 -1.1349315 0 1.9934539 11.506448
Loop time of 0.04685 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
15900 3.1318652 -1.1349315 0 1.9934539 11.506448
16000 3.1012109 -1.2285496 0 1.8692155 11.001584
Loop time of 0.0467439 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
16000 3.1012109 -1.2285496 0 1.8692155 11.001584
16100 3.0508387 -1.2590515 0 1.7883974 10.774791
Loop time of 0.046726 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
16100 3.0508387 -1.2590515 0 1.7883974 10.774791
16200 3.1900114 -1.3779639 0 1.8085031 10.051609
Loop time of 0.047003 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
16200 3.1900114 -1.3779639 0 1.8085031 10.051609
16300 2.9418317 -1.2584583 0 1.6801047 10.537777
Loop time of 0.0466199 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
16300 2.9418317 -1.2584583 0 1.6801047 10.537777
16400 2.9386319 -1.2427586 0 1.6926082 10.643756
Loop time of 0.0467391 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
16400 2.9386319 -1.2427586 0 1.6926082 10.643756
16500 2.9129152 -1.0821846 0 1.8274941 11.598824
Loop time of 0.046731 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
16500 2.9129152 -1.0821846 0 1.8274941 11.598824
16600 3.09857 -1.1510317 0 1.9440954 11.235013
Loop time of 0.046741 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
16600 3.09857 -1.1510317 0 1.9440954 11.235013
16700 2.8592356 -1.2474647 0 1.6085939 10.595499
Loop time of 0.046757 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
16700 2.8592356 -1.2474647 0 1.6085939 10.595499
16800 2.930352 -1.2310556 0 1.6960404 10.789207
Loop time of 0.04637 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
16800 2.930352 -1.2310556 0 1.6960404 10.789207
16900 2.9631052 -1.2091634 0 1.7506495 10.861427
Loop time of 0.046385 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
16900 2.9631052 -1.2091634 0 1.7506495 10.861427
17000 2.9507403 -1.0775066 0 1.8699552 11.496194
Loop time of 0.0468409 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
17000 2.9507403 -1.0775066 0 1.8699552 11.496194
17100 3.1429056 -1.1518542 0 1.9875593 11.382163
Loop time of 0.0466008 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
17100 3.1429056 -1.1518542 0 1.9875593 11.382163
17200 3.0175223 -1.2168934 0 1.7972761 10.888517
Loop time of 0.0468168 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
17200 3.0175223 -1.2168934 0 1.7972761 10.888517
17300 3.0849889 -1.2641589 0 1.8174022 10.561238
Loop time of 0.0463462 on 1 procs for 100 steps with 900 atoms
run 100 pre no post no
Step Temp E_pair E_mol TotEng Press
17300 3.0849889 -1.2641589 0 1.8174022 10.561238
17400 2.9622086 -1.2777097 0 1.6812076 10.441674
Loop time of 0.0466161 on 1 procs for 100 steps with 900 atoms