lammps/potentials/InP_JCPA2020.snapcoeff

# DATE: 2020-06-01 UNITS: metal CONTRIBUTOR: Mary Alice Cusentino mcusent@sandia.gov CITATION: M.A. Cusentino, M. A. Wood, and A.P. Thompson, "Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems", J. Phys. Chem. A, xxxxxx (2020)

2 241
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  0.045837409910 # B[25, 5, 4, 5] Block = 2 Type = P 
 -0.014180512722 # B[26, 5, 5, 6] Block = 2 Type = P 
  0.010756044042 # B[27, 6, 0, 6] Block = 2 Type = P 
  0.023429477590 # B[28, 6, 2, 6] Block = 2 Type = P 
 -0.007794133717 # B[29, 6, 4, 6] Block = 2 Type = P 
  0.002019828318 # B[30, 6, 6, 6] Block = 2 Type = P 
 -0.001747658242 # B[1, 0, 0, 0] Block = 3 Type = P 
  0.047070626642 # B[2, 1, 0, 1] Block = 3 Type = P 
 -0.126595340298 # B[3, 1, 1, 2] Block = 3 Type = P 
  0.022286899829 # B[4, 2, 0, 2] Block = 3 Type = P 
 -0.483695340547 # B[5, 2, 1, 3] Block = 3 Type = P 
 -0.059117110271 # B[6, 2, 2, 2] Block = 3 Type = P 
 -0.067694089340 # B[7, 2, 2, 4] Block = 3 Type = P 
  0.034974727122 # B[8, 3, 0, 3] Block = 3 Type = P 
 -0.226290583408 # B[9, 3, 1, 4] Block = 3 Type = P 
 -0.184699579267 # B[10, 3, 2, 3] Block = 3 Type = P 
  0.063122270285 # B[11, 3, 2, 5] Block = 3 Type = P 
  0.041271206739 # B[12, 3, 3, 4] Block = 3 Type = P 
 -0.004229157928 # B[13, 3, 3, 6] Block = 3 Type = P 
  0.050689134214 # B[14, 4, 0, 4] Block = 3 Type = P 
 -0.138276744014 # B[15, 4, 1, 5] Block = 3 Type = P 
  0.097985494164 # B[16, 4, 2, 4] Block = 3 Type = P 
 -0.083537235645 # B[17, 4, 2, 6] Block = 3 Type = P 
  0.098390585361 # B[18, 4, 3, 5] Block = 3 Type = P 
  0.012133725790 # B[19, 4, 4, 4] Block = 3 Type = P 
 -0.038067814334 # B[20, 4, 4, 6] Block = 3 Type = P 
  0.029636266108 # B[21, 5, 0, 5] Block = 3 Type = P 
 -0.157117938354 # B[22, 5, 1, 6] Block = 3 Type = P 
 -0.027712542047 # B[23, 5, 2, 5] Block = 3 Type = P 
  0.084730212710 # B[24, 5, 3, 6] Block = 3 Type = P 
  0.023437407693 # B[25, 5, 4, 5] Block = 3 Type = P 
  0.017747856995 # B[26, 5, 5, 6] Block = 3 Type = P 
  0.050161344183 # B[27, 6, 0, 6] Block = 3 Type = P 
 -0.098577816149 # B[28, 6, 2, 6] Block = 3 Type = P 
 -0.046997533090 # B[29, 6, 4, 6] Block = 3 Type = P 
  0.002019828318 # B[30, 6, 6, 6] Block = 3 Type = P 
 -0.003152987881 # B[1, 0, 0, 0] Block = 4 Type = P 
  0.014621850469 # B[2, 1, 0, 1] Block = 4 Type = P 
  0.098860641022 # B[3, 1, 1, 2] Block = 4 Type = P 
  0.069546644549 # B[4, 2, 0, 2] Block = 4 Type = P 
  0.180804700658 # B[5, 2, 1, 3] Block = 4 Type = P 
  0.034244852922 # B[6, 2, 2, 2] Block = 4 Type = P 
  0.044579888557 # B[7, 2, 2, 4] Block = 4 Type = P 
  0.001526239292 # B[8, 3, 0, 3] Block = 4 Type = P 
  0.203861850923 # B[9, 3, 1, 4] Block = 4 Type = P 
  0.021679218740 # B[10, 3, 2, 3] Block = 4 Type = P 
  0.185899872703 # B[11, 3, 2, 5] Block = 4 Type = P 
 -0.063472862380 # B[12, 3, 3, 4] Block = 4 Type = P 
 -0.015662648111 # B[13, 3, 3, 6] Block = 4 Type = P 
  0.076209869795 # B[14, 4, 0, 4] Block = 4 Type = P 
 -0.050213789331 # B[15, 4, 1, 5] Block = 4 Type = P 
  0.038175316256 # B[16, 4, 2, 4] Block = 4 Type = P 
  0.041946424186 # B[17, 4, 2, 6] Block = 4 Type = P 
 -0.023902281235 # B[18, 4, 3, 5] Block = 4 Type = P 
  0.008537822812 # B[19, 4, 4, 4] Block = 4 Type = P 
  0.039989757491 # B[20, 4, 4, 6] Block = 4 Type = P 
  0.022210126714 # B[21, 5, 0, 5] Block = 4 Type = P 
  0.010855258243 # B[22, 5, 1, 6] Block = 4 Type = P 
  0.021570527219 # B[23, 5, 2, 5] Block = 4 Type = P 
 -0.119983534986 # B[24, 5, 3, 6] Block = 4 Type = P 
 -0.019726935513 # B[25, 5, 4, 5] Block = 4 Type = P 
 -0.015720476443 # B[26, 5, 5, 6] Block = 4 Type = P 
 -0.024522109113 # B[27, 6, 0, 6] Block = 4 Type = P 
 -0.051478859538 # B[28, 6, 2, 6] Block = 4 Type = P 
  0.017216285614 # B[29, 6, 4, 6] Block = 4 Type = P 
 -0.003565797401 # B[30, 6, 6, 6] Block = 4 Type = P 
 -0.001747658242 # B[1, 0, 0, 0] Block = 5 Type = P 
 -0.026182047943 # B[2, 1, 0, 1] Block = 5 Type = P 
 -0.126595340298 # B[3, 1, 1, 2] Block = 5 Type = P 
 -0.076525139004 # B[4, 2, 0, 2] Block = 5 Type = P 
 -0.157814129312 # B[5, 2, 1, 3] Block = 5 Type = P 
 -0.059117110271 # B[6, 2, 2, 2] Block = 5 Type = P 
 -0.067694089340 # B[7, 2, 2, 4] Block = 5 Type = P 
 -0.020755324452 # B[8, 3, 0, 3] Block = 5 Type = P 
 -0.216746420586 # B[9, 3, 1, 4] Block = 5 Type = P 
 -0.073956723908 # B[10, 3, 2, 3] Block = 5 Type = P 
 -0.263593571569 # B[11, 3, 2, 5] Block = 5 Type = P 
  0.041271206739 # B[12, 3, 3, 4] Block = 5 Type = P 
 -0.004229157928 # B[13, 3, 3, 6] Block = 5 Type = P 
 -0.082660360252 # B[14, 4, 0, 4] Block = 5 Type = P 
 -0.305032662779 # B[15, 4, 1, 5] Block = 5 Type = P 
 -0.046981555049 # B[16, 4, 2, 4] Block = 5 Type = P 
 -0.187955078269 # B[17, 4, 2, 6] Block = 5 Type = P 
 -0.121808447372 # B[18, 4, 3, 5] Block = 5 Type = P 
  0.012133725790 # B[19, 4, 4, 4] Block = 5 Type = P 
 -0.038067814334 # B[20, 4, 4, 6] Block = 5 Type = P 
 -0.034945525448 # B[21, 5, 0, 5] Block = 5 Type = P 
 -0.226555787648 # B[22, 5, 1, 6] Block = 5 Type = P 
 -0.085701075837 # B[23, 5, 2, 5] Block = 5 Type = P 
 -0.121081797087 # B[24, 5, 3, 6] Block = 5 Type = P 
  0.045837409910 # B[25, 5, 4, 5] Block = 5 Type = P 
  0.017747856995 # B[26, 5, 5, 6] Block = 5 Type = P 
  0.010756044042 # B[27, 6, 0, 6] Block = 5 Type = P 
  0.023429477590 # B[28, 6, 2, 6] Block = 5 Type = P 
 -0.007794133717 # B[29, 6, 4, 6] Block = 5 Type = P 
  0.002019828318 # B[30, 6, 6, 6] Block = 5 Type = P 
 -0.003152987881 # B[1, 0, 0, 0] Block = 6 Type = P 
 -0.003431824919 # B[2, 1, 0, 1] Block = 6 Type = P 
  0.098860641022 # B[3, 1, 1, 2] Block = 6 Type = P 
 -0.049867192647 # B[4, 2, 0, 2] Block = 6 Type = P 
  0.130247785083 # B[5, 2, 1, 3] Block = 6 Type = P 
  0.034244852922 # B[6, 2, 2, 2] Block = 6 Type = P 
  0.044579888557 # B[7, 2, 2, 4] Block = 6 Type = P 
  0.051064338359 # B[8, 3, 0, 3] Block = 6 Type = P 
 -0.034769100897 # B[9, 3, 1, 4] Block = 6 Type = P 
 -0.055923569507 # B[10, 3, 2, 3] Block = 6 Type = P 
  0.101065442824 # B[11, 3, 2, 5] Block = 6 Type = P 
 -0.063472862380 # B[12, 3, 3, 4] Block = 6 Type = P 
 -0.015662648111 # B[13, 3, 3, 6] Block = 6 Type = P 
 -0.020942037301 # B[14, 4, 0, 4] Block = 6 Type = P 
  0.057686438719 # B[15, 4, 1, 5] Block = 6 Type = P 
  0.061281723131 # B[16, 4, 2, 4] Block = 6 Type = P 
  0.041003214284 # B[17, 4, 2, 6] Block = 6 Type = P 
  0.104968889582 # B[18, 4, 3, 5] Block = 6 Type = P 
  0.008537822812 # B[19, 4, 4, 4] Block = 6 Type = P 
  0.039989757491 # B[20, 4, 4, 6] Block = 6 Type = P 
  0.058310887739 # B[21, 5, 0, 5] Block = 6 Type = P 
  0.043642228702 # B[22, 5, 1, 6] Block = 6 Type = P 
  0.119827018636 # B[23, 5, 2, 5] Block = 6 Type = P 
 -0.017878741482 # B[24, 5, 3, 6] Block = 6 Type = P 
  0.013615249763 # B[25, 5, 4, 5] Block = 6 Type = P 
 -0.015720476443 # B[26, 5, 5, 6] Block = 6 Type = P 
  0.028210503571 # B[27, 6, 0, 6] Block = 6 Type = P 
  0.138982983531 # B[28, 6, 2, 6] Block = 6 Type = P 
  0.020848948259 # B[29, 6, 4, 6] Block = 6 Type = P 
 -0.003565797401 # B[30, 6, 6, 6] Block = 6 Type = P 
 -0.003152987876 # B[1, 0, 0, 0] Block = 7 Type = P 
  0.014621850469 # B[2, 1, 0, 1] Block = 7 Type = P 
  0.136917412546 # B[3, 1, 1, 2] Block = 7 Type = P 
  0.069546644549 # B[4, 2, 0, 2] Block = 7 Type = P 
  0.134471034367 # B[5, 2, 1, 3] Block = 7 Type = P 
  0.034244852922 # B[6, 2, 2, 2] Block = 7 Type = P 
  0.073714102880 # B[7, 2, 2, 4] Block = 7 Type = P 
  0.001526239292 # B[8, 3, 0, 3] Block = 7 Type = P 
  0.029314077312 # B[9, 3, 1, 4] Block = 7 Type = P 
  0.021679218740 # B[10, 3, 2, 3] Block = 7 Type = P 
  0.005384023182 # B[11, 3, 2, 5] Block = 7 Type = P 
  0.029912954139 # B[12, 3, 3, 4] Block = 7 Type = P 
  0.036308629380 # B[13, 3, 3, 6] Block = 7 Type = P 
  0.076209869795 # B[14, 4, 0, 4] Block = 7 Type = P 
 -0.095659211777 # B[15, 4, 1, 5] Block = 7 Type = P 
  0.038175316256 # B[16, 4, 2, 4] Block = 7 Type = P 
 -0.054559433157 # B[17, 4, 2, 6] Block = 7 Type = P 
 -0.079205893849 # B[18, 4, 3, 5] Block = 7 Type = P 
  0.008537822812 # B[19, 4, 4, 4] Block = 7 Type = P 
  0.072688459278 # B[20, 4, 4, 6] Block = 7 Type = P 
  0.022210126714 # B[21, 5, 0, 5] Block = 7 Type = P 
  0.032318678024 # B[22, 5, 1, 6] Block = 7 Type = P 
  0.021570527219 # B[23, 5, 2, 5] Block = 7 Type = P 
  0.038881258714 # B[24, 5, 3, 6] Block = 7 Type = P 
 -0.019726935513 # B[25, 5, 4, 5] Block = 7 Type = P 
  0.030961312127 # B[26, 5, 5, 6] Block = 7 Type = P 
 -0.024522109113 # B[27, 6, 0, 6] Block = 7 Type = P 
 -0.051478859538 # B[28, 6, 2, 6] Block = 7 Type = P 
  0.017216285614 # B[29, 6, 4, 6] Block = 7 Type = P 
 -0.003565797401 # B[30, 6, 6, 6] Block = 7 Type = P 
  0.000279543258 # B[1, 0, 0, 0] Block = 8 Type = P 
  0.031561006068 # B[2, 1, 0, 1] Block = 8 Type = P 
  0.164297477481 # B[3, 1, 1, 2] Block = 8 Type = P 
  0.020394103829 # B[4, 2, 0, 2] Block = 8 Type = P 
 -0.136924810031 # B[5, 2, 1, 3] Block = 8 Type = P 
  0.011488762740 # B[6, 2, 2, 2] Block = 8 Type = P 
 -0.174577132596 # B[7, 2, 2, 4] Block = 8 Type = P 
 -0.104272988787 # B[8, 3, 0, 3] Block = 8 Type = P 
 -0.126737159959 # B[9, 3, 1, 4] Block = 8 Type = P 
  0.006355291540 # B[10, 3, 2, 3] Block = 8 Type = P 
 -0.116847920709 # B[11, 3, 2, 5] Block = 8 Type = P 
  0.093716628094 # B[12, 3, 3, 4] Block = 8 Type = P 
 -0.015327516258 # B[13, 3, 3, 6] Block = 8 Type = P 
 -0.015071645969 # B[14, 4, 0, 4] Block = 8 Type = P 
  0.054380965184 # B[15, 4, 1, 5] Block = 8 Type = P 
  0.113826098444 # B[16, 4, 2, 4] Block = 8 Type = P 
  0.012970945123 # B[17, 4, 2, 6] Block = 8 Type = P 
 -0.047881183904 # B[18, 4, 3, 5] Block = 8 Type = P 
 -0.010520024430 # B[19, 4, 4, 4] Block = 8 Type = P 
 -0.077321883428 # B[20, 4, 4, 6] Block = 8 Type = P 
 -0.087378280220 # B[21, 5, 0, 5] Block = 8 Type = P 
 -0.221370705680 # B[22, 5, 1, 6] Block = 8 Type = P 
  0.004554405520 # B[23, 5, 2, 5] Block = 8 Type = P 
 -0.164836672985 # B[24, 5, 3, 6] Block = 8 Type = P 
 -0.015080843808 # B[25, 5, 4, 5] Block = 8 Type = P 
 -0.010907038616 # B[26, 5, 5, 6] Block = 8 Type = P 
 -0.022228801431 # B[27, 6, 0, 6] Block = 8 Type = P 
 -0.055154587470 # B[28, 6, 2, 6] Block = 8 Type = P 
  0.007347917376 # B[29, 6, 4, 6] Block = 8 Type = P 
 -0.009369956559 # B[30, 6, 6, 6] Block = 8 Type = P