# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Au2MoTa # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.911464201e+02 3.911464201e+02 1.30 3.633132953e+02 3.633132953e+02 1.32 3.375167021e+02 3.375167021e+02 1.34 3.135959820e+02 3.135959820e+02 1.36 2.914032826e+02 2.914032826e+02 1.38 2.708029732e+02 2.708029732e+02 1.40 2.516707117e+02 2.516707117e+02 1.42 2.338918287e+02 2.338918287e+02 1.44 2.173600651e+02 2.173600651e+02 1.46 2.019771885e+02 2.019771885e+02 1.48 1.876532176e+02 1.876532176e+02 1.50 1.743068618e+02 1.743068618e+02 1.52 1.618656437e+02 1.618656437e+02 1.54 1.502650766e+02 1.502650766e+02 1.56 1.394468653e+02 1.394468653e+02 1.58 1.293568964e+02 1.293568964e+02 1.60 1.199438696e+02 1.199438696e+02 1.62 1.111588134e+02 1.111588134e+02 1.64 1.029551935e+02 1.029551935e+02 1.66 9.528924557e+01 9.528924557e+01 1.68 8.812034562e+01 8.812034562e+01 1.70 8.141135762e+01 8.141135762e+01 1.72 7.512889703e+01 7.512889703e+01 1.74 6.924341150e+01 6.924341150e+01 1.76 6.372898119e+01 6.372898119e+01 1.78 5.856279234e+01 5.856279234e+01 1.80 5.372434427e+01 5.372434427e+01 1.82 4.919458158e+01 4.919458158e+01 1.84 4.495598257e+01 4.495598257e+01 1.86 4.099433273e+01 4.099433273e+01 1.88 3.729948351e+01 3.729948351e+01 1.90 3.387449335e+01 3.387449335e+01 1.92 3.070229550e+01 3.070229550e+01 1.94 2.776535021e+01 2.776535021e+01 1.96 2.504767363e+01 2.504767363e+01 1.98 2.253465644e+01 2.253465644e+01 2.00 2.021277576e+01 2.021277576e+01 2.02 1.806929295e+01 1.806929295e+01 2.04 1.609200598e+01 1.609200598e+01 2.06 1.426909779e+01 1.426909779e+01 2.08 1.258909775e+01 1.258909775e+01 2.10 1.104094561e+01 1.104094561e+01 2.12 9.614120597e+00 9.614120597e+00 2.14 8.298783974e+00 8.298783974e+00 2.16 7.085889414e+00 7.085889414e+00 2.18 5.967234241e+00 5.967234241e+00 2.20 4.935447378e+00 4.935447378e+00 2.22 3.983926469e+00 3.983926469e+00 2.24 3.106743824e+00 3.106743824e+00 2.26 2.298540102e+00 2.298540102e+00 2.28 1.554420429e+00 1.554420429e+00 2.30 8.698636353e-01 8.698636353e-01 2.32 2.406520201e-01 2.406520201e-01 2.34 -3.371742334e-01 -3.371742334e-01 2.36 -8.673379899e-01 -8.673379899e-01 2.38 -1.353326012e+00 -1.353326012e+00 2.40 -1.798378134e+00 -1.798378134e+00 2.42 -2.205474781e+00 -2.205474781e+00 2.44 -2.577331589e+00 -2.577331589e+00 2.46 -2.916406395e+00 -2.916406395e+00 2.48 -3.224919482e+00 -3.224919482e+00 2.50 -3.504883807e+00 -3.504883807e+00 2.52 -3.758040552e+00 -3.758040552e+00 2.54 -3.986131827e+00 -3.986131827e+00 2.56 -4.190896243e+00 -4.190896243e+00 2.58 -4.373961035e+00 -4.373961035e+00 2.60 -4.536857384e+00 -4.536857384e+00 2.62 -4.681022355e+00 -4.681022355e+00 2.64 -4.807746359e+00 -4.807746359e+00 2.66 -4.918105999e+00 -4.918105999e+00 2.68 -5.013052204e+00 -5.013052204e+00 2.70 -5.093415751e+00 -5.093415751e+00 2.72 -5.159968263e+00 -5.159968263e+00 2.74 -5.213427341e+00 -5.213427341e+00 2.76 -5.254466053e+00 -5.254466053e+00 2.78 -5.283723338e+00 -5.283723338e+00 2.80 -5.301806604e+00 -5.301806604e+00 2.82 -5.309182413e+00 -5.309182413e+00 2.84 -5.306231595e+00 -5.306231595e+00 2.86 -5.293375976e+00 -5.293375976e+00 2.88 -5.271082483e+00 -5.271082483e+00 2.90 -5.239863648e+00 -5.239863648e+00 2.92 -5.200277413e+00 -5.200277413e+00 2.94 -5.152934865e+00 -5.152934865e+00 2.96 -5.098607881e+00 -5.098607881e+00 2.98 -5.037884883e+00 -5.037884883e+00 3.00 -4.971313373e+00 -4.971313373e+00 3.02 -4.899459055e+00 -4.899459055e+00 3.04 -4.822882850e+00 -4.822882850e+00 3.06 -4.742119189e+00 -4.742119189e+00 3.08 -4.657657691e+00 -4.657657691e+00 3.10 -4.569930128e+00 -4.569930128e+00 3.12 -4.479299441e+00 -4.479299441e+00 3.14 -4.386051840e+00 -4.386051840e+00 3.16 -4.290417053e+00 -4.290417053e+00 3.18 -4.192583915e+00 -4.192583915e+00 3.20 -4.092716166e+00 -4.092716166e+00 3.22 -3.990969617e+00 -3.990969617e+00 3.24 -3.887508522e+00 -3.887508522e+00 3.26 -3.782519327e+00 -3.782519327e+00 3.28 -3.676220423e+00 -3.676220423e+00 3.30 -3.568867163e+00 -3.568867163e+00 3.32 -3.460751935e+00 -3.460751935e+00 3.34 -3.352199687e+00 -3.352199687e+00 3.36 -3.243559725e+00 -3.243559725e+00 3.38 -3.135194938e+00 -3.135194938e+00 3.40 -3.027469671e+00 -3.027469671e+00 3.42 -2.920737449e+00 -2.920737449e+00 3.44 -2.815329483e+00 -2.815329483e+00 3.46 -2.711544694e+00 -2.711544694e+00 3.48 -2.609641732e+00 -2.609641732e+00 3.50 -2.509833292e+00 -2.509833292e+00 3.52 -2.412282924e+00 -2.412282924e+00 3.54 -2.317104429e+00 -2.317104429e+00 3.56 -2.224363826e+00 -2.224363826e+00 3.58 -2.134083755e+00 -2.134083755e+00 3.60 -2.046250017e+00 -2.046250017e+00 3.62 -1.960819808e+00 -1.960819808e+00 3.64 -1.877731081e+00 -1.877731081e+00 3.66 -1.796912395e+00 -1.796912395e+00 3.68 -1.718292550e+00 -1.718292550e+00 3.70 -1.641809361e+00 -1.641809361e+00 3.72 -1.567416952e+00 -1.567416952e+00 3.74 -1.495091054e+00 -1.495091054e+00 3.76 -1.424831943e+00 -1.424831943e+00 3.78 -1.356664798e+00 -1.356664798e+00 3.80 -1.290637504e+00 -1.290637504e+00 3.82 -1.226816104e+00 -1.226816104e+00 3.84 -1.165278390e+00 -1.165278390e+00 3.86 -1.106106260e+00 -1.106106260e+00 3.88 -1.049377621e+00 -1.049377621e+00 3.90 -9.951586436e-01 -9.951586436e-01 3.92 -9.434970897e-01 -9.434970897e-01 3.94 -8.944172935e-01 -8.944172935e-01 3.96 -8.479171081e-01 -8.479171081e-01 3.98 -8.039669277e-01 -8.039669277e-01 4.00 -7.625106301e-01 -7.625106301e-01 4.02 -7.234681285e-01 -7.234681285e-01 4.04 -6.867391101e-01 -6.867391101e-01 4.06 -6.522075073e-01 -6.522075073e-01 4.08 -6.197462755e-01 -6.197462755e-01 4.10 -5.892221151e-01 -5.892221151e-01 4.12 -5.604998783e-01 -5.604998783e-01 4.14 -5.334464398e-01 -5.334464398e-01 4.16 -5.079339684e-01 -5.079339684e-01 4.18 -4.838425073e-01 -4.838425073e-01 4.20 -4.610618615e-01 -4.610618615e-01 4.22 -4.394927938e-01 -4.394927938e-01 4.24 -4.190475502e-01 -4.190475502e-01 4.26 -3.996497455e-01 -3.996497455e-01 4.28 -3.812336639e-01 -3.812336639e-01 4.30 -3.637430529e-01 -3.637430529e-01 4.32 -3.471295259e-01 -3.471295259e-01 4.34 -3.313507214e-01 -3.313507214e-01 4.36 -3.163683890e-01 -3.163683890e-01 4.38 -3.021465810e-01 -3.021465810e-01 4.40 -2.886501028e-01 -2.886501028e-01 4.42 -2.758433391e-01 -2.758433391e-01 4.44 -2.636895107e-01 -2.636895107e-01 4.46 -2.521503547e-01 -2.521503547e-01 4.48 -2.411861805e-01 -2.411861805e-01 4.50 -2.307562041e-01 -2.307562041e-01 4.52 -2.208189048e-01 -2.208189048e-01 4.54 -2.113325643e-01 -2.113325643e-01 4.56 -2.022568078e-01 -2.022568078e-01 4.58 -1.935522521e-01 -1.935522521e-01 4.60 -1.851809688e-01 -1.851809688e-01 4.62 -1.771069148e-01 -1.771069148e-01 4.64 -1.692962598e-01 -1.692962598e-01 4.66 -1.617176347e-01 -1.617176347e-01 4.68 -1.543423336e-01 -1.543423336e-01 4.70 -1.471444932e-01 -1.471444932e-01 4.72 -1.401012736e-01 -1.401012736e-01 4.74 -1.331930550e-01 -1.331930550e-01 4.76 -1.264036557e-01 -1.264036557e-01 4.78 -1.197205688e-01 -1.197205688e-01 4.80 -1.131352020e-01 -1.131352020e-01 4.82 -1.066431045e-01 -1.066431045e-01 4.84 -1.002441300e-01 -1.002441300e-01 4.86 -9.394252103e-02 -9.394252103e-02 4.88 -8.774685377e-02 -8.774685377e-02 4.90 -8.166981167e-02 -8.166981167e-02 4.92 -7.572775634e-02 -7.572775634e-02 4.94 -6.994008160e-02 -6.994008160e-02 4.96 -6.432835873e-02 -6.432835873e-02 4.98 -5.891530654e-02 -5.891530654e-02 5.00 -5.372364535e-02 -5.372364535e-02 5.02 -4.877491418e-02 -4.877491418e-02 5.04 -4.408834198e-02 -4.408834198e-02 5.06 -3.967986279e-02 -3.967986279e-02 5.08 -3.556135133e-02 -3.556135133e-02 5.10 -3.174013232e-02 -3.174013232e-02 5.12 -2.821878365e-02 -2.821878365e-02 5.14 -2.499522688e-02 -2.499522688e-02 5.16 -2.206306916e-02 -2.206306916e-02 5.18 -1.941213834e-02 -1.941213834e-02 5.20 -1.702911478e-02 -1.702911478e-02 5.22 -1.489791775e-02 -1.489791775e-02 5.24 -1.300138585e-02 -1.300138585e-02 5.26 -1.132145642e-02 -1.132145642e-02 5.28 -9.839583137e-03 -9.839583137e-03 5.30 -8.537290850e-03 -8.537290850e-03 5.32 -7.396614023e-03 -7.396614023e-03 5.34 -6.400423363e-03 -6.400423363e-03 5.36 -5.532651564e-03 -5.532651564e-03 5.38 -4.778432640e-03 -4.778432640e-03 5.40 -4.124170606e-03 -4.124170606e-03 5.42 -3.557552879e-03 -3.557552879e-03 5.44 -3.067522434e-03 -3.067522434e-03 5.46 -2.644220834e-03 -2.644220834e-03 5.48 -2.278912148e-03 -2.278912148e-03 5.50 -1.963895739e-03 -1.963895739e-03 5.52 -1.692414016e-03 -1.692414016e-03 5.54 -1.458559659e-03 -1.458559659e-03 5.56 -1.257185486e-03 -1.257185486e-03 5.58 -1.083819068e-03 -1.083819068e-03 5.60 -9.345833838e-04 -9.345833838e-04 5.62 -8.061241782e-04 -8.061241782e-04 5.64 -6.955442590e-04 -6.955442590e-04 5.66 -6.003446316e-04 -6.003446316e-04 5.68 -5.183721826e-04 -5.183721826e-04 5.70 -4.477734848e-04 -4.477734848e-04 5.72 -3.869542293e-04 -3.869542293e-04 5.74 -3.345437577e-04 -3.345437577e-04 5.76 -2.893641729e-04 -2.893641729e-04 5.78 -2.504035191e-04 -2.504035191e-04 5.80 -2.167925587e-04 -2.167925587e-04 5.82 -1.877847055e-04 -1.877847055e-04 5.84 -1.627387189e-04 -1.627387189e-04 5.86 -1.411037987e-04 -1.411037987e-04 5.88 -1.224067660e-04 -1.224067660e-04 5.90 -1.062410475e-04 -1.062410475e-04 5.92 -9.225721654e-05 -9.225721654e-05 5.94 -8.015487791e-05 -8.015487791e-05 5.96 -6.967570627e-05 -6.967570627e-05 5.98 -6.059747790e-05 -6.059747790e-05 6.00 -5.272895449e-05 -5.272895449e-05