# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr1 # composition = AlCoNi2 # 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 2022-05-24 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 3.677705897e+04 3.677705897e+04 1.12 3.299675602e+04 3.299675602e+04 1.14 2.950513916e+04 2.950513916e+04 1.16 2.628183012e+04 2.628183012e+04 1.18 2.330693423e+04 2.330693423e+04 1.20 2.056373165e+04 2.056373165e+04 1.22 1.803645243e+04 1.803645243e+04 1.24 1.571418592e+04 1.571418592e+04 1.26 1.358699777e+04 1.358699777e+04 1.28 1.164430637e+04 1.164430637e+04 1.30 9.873120370e+03 9.873120370e+03 1.32 8.261696922e+03 8.261696922e+03 1.34 6.825304854e+03 6.825304854e+03 1.36 5.713326568e+03 5.713326568e+03 1.38 4.852701501e+03 4.852701501e+03 1.40 4.151199532e+03 4.151199532e+03 1.42 3.544942022e+03 3.544942022e+03 1.44 3.010977565e+03 3.010977565e+03 1.46 2.543517499e+03 2.543517499e+03 1.48 2.136830763e+03 2.136830763e+03 1.50 1.785354951e+03 1.785354951e+03 1.52 1.483658192e+03 1.483658192e+03 1.54 1.226557455e+03 1.226557455e+03 1.56 1.009137191e+03 1.009137191e+03 1.58 8.267724996e+02 8.267724996e+02 1.60 6.750699143e+02 6.750699143e+02 1.62 5.498151433e+02 5.498151433e+02 1.64 4.471223035e+02 4.471223035e+02 1.66 3.634622210e+02 3.634622210e+02 1.68 2.956439577e+02 2.956439577e+02 1.70 2.408227746e+02 2.408227746e+02 1.72 1.965164060e+02 1.965164060e+02 1.74 1.606079060e+02 1.606079060e+02 1.76 1.313268057e+02 1.313268057e+02 1.78 1.072366501e+02 1.072366501e+02 1.80 8.724915815e+01 8.724915815e+01 1.82 7.064885903e+01 7.064885903e+01 1.84 5.694284880e+01 5.694284880e+01 1.86 4.568874898e+01 4.568874898e+01 1.88 3.648288774e+01 3.648288774e+01 1.90 2.896396908e+01 2.896396908e+01 1.92 2.281775592e+01 2.281775592e+01 1.94 1.777716695e+01 1.777716695e+01 1.96 1.362229880e+01 1.362229880e+01 1.98 1.017976904e+01 1.017976904e+01 2.00 7.317943466e+00 7.317943466e+00 2.02 4.940534012e+00 4.940534012e+00 2.04 2.972255520e+00 2.972255520e+00 2.06 1.354756445e+00 1.354756445e+00 2.08 4.579592786e-02 4.579592786e-02 2.10 -9.926503550e-01 -9.926503550e-01 2.12 -1.800075324e+00 -1.800075324e+00 2.14 -2.418459733e+00 -2.418459733e+00 2.16 -2.886319602e+00 -2.886319602e+00 2.18 -3.237929893e+00 -3.237929893e+00 2.20 -3.502203268e+00 -3.502203268e+00 2.22 -3.702225303e+00 -3.702225303e+00 2.24 -3.856351815e+00 -3.856351815e+00 2.26 -3.978229493e+00 -3.978229493e+00 2.28 -4.077084973e+00 -4.077084973e+00 2.30 -4.158004957e+00 -4.158004957e+00 2.32 -4.222072812e+00 -4.222072812e+00 2.34 -4.268392244e+00 -4.268392244e+00 2.36 -4.296615802e+00 -4.296615802e+00 2.38 -4.308720051e+00 -4.308720051e+00 2.40 -4.310336754e+00 -4.310336754e+00 2.42 -4.309381455e+00 -4.309381455e+00 2.44 -4.311153669e+00 -4.311153669e+00 2.46 -4.315222176e+00 -4.315222176e+00 2.48 -4.318128132e+00 -4.318128132e+00 2.50 -4.316699950e+00 -4.316699950e+00 2.52 -4.309849539e+00 -4.309849539e+00 2.54 -4.297798662e+00 -4.297798662e+00 2.56 -4.280966128e+00 -4.280966128e+00 2.58 -4.259740336e+00 -4.259740336e+00 2.60 -4.234535375e+00 -4.234535375e+00 2.62 -4.205779408e+00 -4.205779408e+00 2.64 -4.173872611e+00 -4.173872611e+00 2.66 -4.139150597e+00 -4.139150597e+00 2.68 -4.101853273e+00 -4.101853273e+00 2.70 -4.062095823e+00 -4.062095823e+00 2.72 -4.019864002e+00 -4.019864002e+00 2.74 -3.975065280e+00 -3.975065280e+00 2.76 -3.927664808e+00 -3.927664808e+00 2.78 -3.877925436e+00 -3.877925436e+00 2.80 -3.826563229e+00 -3.826563229e+00 2.82 -3.774677009e+00 -3.774677009e+00 2.84 -3.723362494e+00 -3.723362494e+00 2.86 -3.673254573e+00 -3.673254573e+00 2.88 -3.624346401e+00 -3.624346401e+00 2.90 -3.576173050e+00 -3.576173050e+00 2.92 -3.528102839e+00 -3.528102839e+00 2.94 -3.479548668e+00 -3.479548668e+00 2.96 -3.430060358e+00 -3.430060358e+00 2.98 -3.379321127e+00 -3.379321127e+00 3.00 -3.327024226e+00 -3.327024226e+00 3.02 -3.272755305e+00 -3.272755305e+00 3.04 -3.215971523e+00 -3.215971523e+00 3.06 -3.156025702e+00 -3.156025702e+00 3.08 -3.092280179e+00 -3.092280179e+00 3.10 -3.024388231e+00 -3.024388231e+00 3.12 -2.952757203e+00 -2.952757203e+00 3.14 -2.878997591e+00 -2.878997591e+00 3.16 -2.805826363e+00 -2.805826363e+00 3.18 -2.736079047e+00 -2.736079047e+00 3.20 -2.671123123e+00 -2.671123123e+00 3.22 -2.610279823e+00 -2.610279823e+00 3.24 -2.551837027e+00 -2.551837027e+00 3.26 -2.495151301e+00 -2.495151301e+00 3.28 -2.441123982e+00 -2.441123982e+00 3.30 -2.389951394e+00 -2.389951394e+00 3.32 -2.341078355e+00 -2.341078355e+00 3.34 -2.293356320e+00 -2.293356320e+00 3.36 -2.246188520e+00 -2.246188520e+00 3.38 -2.200907940e+00 -2.200907940e+00 3.40 -2.161421719e+00 -2.161421719e+00 3.42 -2.127256113e+00 -2.127256113e+00 3.44 -2.095788650e+00 -2.095788650e+00 3.46 -2.065704204e+00 -2.065704204e+00 3.48 -2.036443562e+00 -2.036443562e+00 3.50 -2.007755875e+00 -2.007755875e+00 3.52 -1.979524037e+00 -1.979524037e+00 3.54 -1.951673457e+00 -1.951673457e+00 3.56 -1.924157644e+00 -1.924157644e+00 3.58 -1.896950237e+00 -1.896950237e+00 3.60 -1.870040897e+00 -1.870040897e+00 3.62 -1.843438751e+00 -1.843438751e+00 3.64 -1.817165240e+00 -1.817165240e+00 3.66 -1.791250174e+00 -1.791250174e+00 3.68 -1.765728416e+00 -1.765728416e+00 3.70 -1.740635828e+00 -1.740635828e+00 3.72 -1.716004405e+00 -1.716004405e+00 3.74 -1.691859732e+00 -1.691859732e+00 3.76 -1.668220654e+00 -1.668220654e+00 3.78 -1.645099150e+00 -1.645099150e+00 3.80 -1.622500921e+00 -1.622500921e+00 3.82 -1.600426314e+00 -1.600426314e+00 3.84 -1.578870993e+00 -1.578870993e+00 3.86 -1.557825229e+00 -1.557825229e+00 3.88 -1.537278594e+00 -1.537278594e+00 3.90 -1.517220432e+00 -1.517220432e+00 3.92 -1.497637202e+00 -1.497637202e+00 3.94 -1.478512394e+00 -1.478512394e+00 3.96 -1.459826631e+00 -1.459826631e+00 3.98 -1.441557771e+00 -1.441557771e+00 4.00 -1.423681027e+00 -1.423681027e+00 4.02 -1.406169092e+00 -1.406169092e+00 4.04 -1.388992270e+00 -1.388992270e+00 4.06 -1.372118623e+00 -1.372118623e+00 4.08 -1.355514123e+00 -1.355514123e+00 4.10 -1.339142818e+00 -1.339142818e+00 4.12 -1.322967007e+00 -1.322967007e+00 4.14 -1.306947436e+00 -1.306947436e+00 4.16 -1.291043498e+00 -1.291043498e+00 4.18 -1.275213466e+00 -1.275213466e+00 4.20 -1.259414726e+00 -1.259414726e+00 4.22 -1.243604048e+00 -1.243604048e+00 4.24 -1.227739158e+00 -1.227739158e+00 4.26 -1.211782454e+00 -1.211782454e+00 4.28 -1.195700058e+00 -1.195700058e+00 4.30 -1.179467197e+00 -1.179467197e+00 4.32 -1.163062686e+00 -1.163062686e+00 4.34 -1.146467378e+00 -1.146467378e+00 4.36 -1.129664408e+00 -1.129664408e+00 4.38 -1.112639656e+00 -1.112639656e+00 4.40 -1.095382454e+00 -1.095382454e+00 4.42 -1.077886073e+00 -1.077886073e+00 4.44 -1.060148214e+00 -1.060148214e+00 4.46 -1.042171494e+00 -1.042171494e+00 4.48 -1.023963916e+00 -1.023963916e+00 4.50 -1.005539115e+00 -1.005539115e+00 4.52 -9.869154045e-01 -9.869154045e-01 4.54 -9.681147930e-01 -9.681147930e-01 4.56 -9.491623124e-01 -9.491623124e-01 4.58 -9.300867044e-01 -9.300867044e-01 4.60 -9.109204818e-01 -9.109204818e-01 4.62 -8.916996886e-01 -8.916996886e-01 4.64 -8.724636201e-01 -8.724636201e-01 4.66 -8.532544003e-01 -8.532544003e-01 4.68 -8.341164702e-01 -8.341164702e-01 4.70 -8.150960406e-01 -8.150960406e-01 4.72 -7.962398852e-01 -7.962398852e-01 4.74 -7.775898801e-01 -7.775898801e-01 4.76 -7.591842511e-01 -7.591842511e-01 4.78 -7.410596267e-01 -7.410596267e-01 4.80 -7.232503128e-01 -7.232503128e-01 4.82 -7.057877131e-01 -7.057877131e-01 4.84 -6.886996252e-01 -6.886996252e-01 4.86 -6.720095450e-01 -6.720095450e-01 4.88 -6.557364633e-01 -6.557364633e-01 4.90 -6.398944410e-01 -6.398944410e-01 4.92 -6.244919589e-01 -6.244919589e-01 4.94 -6.095331773e-01 -6.095331773e-01 4.96 -5.950175052e-01 -5.950175052e-01 4.98 -5.809400275e-01 -5.809400275e-01 5.00 -5.672840148e-01 -5.672840148e-01 5.02 -5.540279005e-01 -5.540279005e-01 5.04 -5.411515664e-01 -5.411515664e-01 5.06 -5.286452889e-01 -5.286452889e-01 5.08 -5.164986089e-01 -5.164986089e-01 5.10 -5.046930745e-01 -5.046930745e-01 5.12 -4.931964265e-01 -4.931964265e-01 5.14 -4.819717173e-01 -4.819717173e-01 5.16 -4.709807237e-01 -4.709807237e-01 5.18 -4.601822428e-01 -4.601822428e-01 5.20 -4.495346379e-01 -4.495346379e-01 5.22 -4.389976990e-01 -4.389976990e-01 5.24 -4.285324084e-01 -4.285324084e-01 5.26 -4.181038951e-01 -4.181038951e-01 5.28 -4.076852141e-01 -4.076852141e-01 5.30 -3.972623397e-01 -3.972623397e-01 5.32 -3.868361171e-01 -3.868361171e-01 5.34 -3.764230902e-01 -3.764230902e-01 5.36 -3.660539366e-01 -3.660539366e-01 5.38 -3.557692493e-01 -3.557692493e-01 5.40 -3.456132425e-01 -3.456132425e-01 5.42 -3.356266367e-01 -3.356266367e-01 5.44 -3.258403948e-01 -3.258403948e-01 5.46 -3.161143288e-01 -3.161143288e-01 5.48 -3.068278661e-01 -3.068278661e-01 5.50 -2.977288580e-01 -2.977288580e-01 5.52 -2.887999447e-01 -2.887999447e-01 5.54 -2.800163589e-01 -2.800163589e-01 5.56 -2.713498708e-01 -2.713498708e-01 5.58 -2.627718611e-01 -2.627718611e-01 5.60 -2.542553354e-01 -2.542553354e-01 5.62 -2.457761358e-01 -2.457761358e-01 5.64 -2.373134727e-01 -2.373134727e-01 5.66 -2.288499543e-01 -2.288499543e-01 5.68 -2.203715757e-01 -2.203715757e-01 5.70 -2.118663055e-01 -2.118663055e-01 5.72 -2.033209847e-01 -2.033209847e-01 5.74 -1.947208827e-01 -1.947208827e-01 5.76 -1.860502327e-01 -1.860502327e-01 5.78 -1.772923984e-01 -1.772923984e-01 5.80 -1.684300330e-01 -1.684300330e-01 5.82 -1.594474968e-01 -1.594474968e-01 5.84 -1.503280338e-01 -1.503280338e-01 5.86 -1.410636465e-01 -1.410636465e-01 5.88 -1.316448899e-01 -1.316448899e-01 5.90 -1.221120185e-01 -1.221120185e-01 5.92 -1.124597783e-01 -1.124597783e-01 5.94 -1.026268543e-01 -1.026268543e-01 5.96 -9.267092874e-02 -9.267092874e-02 5.98 -8.281523015e-02 -8.281523015e-02 6.00 -7.329611550e-02 -7.329611550e-02