# 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 = Cu2TiW # 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 2.070712159e+02 2.070712159e+02 1.30 1.905995466e+02 1.905995466e+02 1.32 1.754308322e+02 1.754308322e+02 1.34 1.614564232e+02 1.614564232e+02 1.36 1.485740963e+02 1.485740963e+02 1.38 1.366883424e+02 1.366883424e+02 1.40 1.257112989e+02 1.257112989e+02 1.42 1.155640742e+02 1.155640742e+02 1.44 1.061773669e+02 1.061773669e+02 1.46 9.749063348e+01 9.749063348e+01 1.48 8.945017009e+01 8.945017009e+01 1.50 8.200727891e+01 8.200727891e+01 1.52 7.511731432e+01 7.511731432e+01 1.54 6.873939207e+01 6.873939207e+01 1.56 6.283619890e+01 6.283619890e+01 1.58 5.737372246e+01 5.737372246e+01 1.60 5.232103278e+01 5.232103278e+01 1.62 4.765014437e+01 4.765014437e+01 1.64 4.333575777e+01 4.333575777e+01 1.66 3.935470902e+01 3.935470902e+01 1.68 3.568522073e+01 3.568522073e+01 1.70 3.230621849e+01 3.230621849e+01 1.72 2.919721950e+01 2.919721950e+01 1.74 2.633807070e+01 2.633807070e+01 1.76 2.370850150e+01 2.370850150e+01 1.78 2.128877442e+01 2.128877442e+01 1.80 1.905991620e+01 1.905991620e+01 1.82 1.700431169e+01 1.700431169e+01 1.84 1.510620302e+01 1.510620302e+01 1.86 1.335206507e+01 1.335206507e+01 1.88 1.173043706e+01 1.173043706e+01 1.90 1.023162468e+01 1.023162468e+01 1.92 8.847286461e+00 8.847286461e+00 1.94 7.570040931e+00 7.570040931e+00 1.96 6.393181677e+00 6.393181677e+00 1.98 5.310503263e+00 5.310503263e+00 2.00 4.316178995e+00 4.316178995e+00 2.02 3.404639707e+00 3.404639707e+00 2.04 2.570454031e+00 2.570454031e+00 2.06 1.808244813e+00 1.808244813e+00 2.08 1.112669937e+00 1.112669937e+00 2.10 4.784676911e-01 4.784676911e-01 2.12 -9.945729057e-02 -9.945729057e-02 2.14 -6.259380747e-01 -6.259380747e-01 2.16 -1.105463842e+00 -1.105463842e+00 2.18 -1.542129315e+00 -1.542129315e+00 2.20 -1.939623277e+00 -1.939623277e+00 2.22 -2.301255042e+00 -2.301255042e+00 2.24 -2.630007039e+00 -2.630007039e+00 2.26 -2.928596827e+00 -2.928596827e+00 2.28 -3.199507750e+00 -3.199507750e+00 2.30 -3.444985248e+00 -3.444985248e+00 2.32 -3.667335349e+00 -3.667335349e+00 2.34 -3.868680852e+00 -3.868680852e+00 2.36 -4.050901004e+00 -4.050901004e+00 2.38 -4.215612068e+00 -4.215612068e+00 2.40 -4.364170869e+00 -4.364170869e+00 2.42 -4.497690560e+00 -4.497690560e+00 2.44 -4.616897282e+00 -4.616897282e+00 2.46 -4.722325611e+00 -4.722325611e+00 2.48 -4.814532270e+00 -4.814532270e+00 2.50 -4.894098510e+00 -4.894098510e+00 2.52 -4.961622688e+00 -4.961622688e+00 2.54 -5.017709338e+00 -5.017709338e+00 2.56 -5.062958072e+00 -5.062958072e+00 2.58 -5.097981099e+00 -5.097981099e+00 2.60 -5.123381421e+00 -5.123381421e+00 2.62 -5.139652027e+00 -5.139652027e+00 2.64 -5.147290702e+00 -5.147290702e+00 2.66 -5.146809908e+00 -5.146809908e+00 2.68 -5.138739951e+00 -5.138739951e+00 2.70 -5.123627252e+00 -5.123627252e+00 2.72 -5.102023286e+00 -5.102023286e+00 2.74 -5.074382080e+00 -5.074382080e+00 2.76 -5.041040039e+00 -5.041040039e+00 2.78 -5.002314427e+00 -5.002314427e+00 2.80 -4.958497446e+00 -4.958497446e+00 2.82 -4.909853338e+00 -4.909853338e+00 2.84 -4.856855304e+00 -4.856855304e+00 2.86 -4.799896501e+00 -4.799896501e+00 2.88 -4.738829687e+00 -4.738829687e+00 2.90 -4.673607721e+00 -4.673607721e+00 2.92 -4.604291869e+00 -4.604291869e+00 2.94 -4.531045810e+00 -4.531045810e+00 2.96 -4.454126586e+00 -4.454126586e+00 2.98 -4.373872400e+00 -4.373872400e+00 3.00 -4.290688391e+00 -4.290688391e+00 3.02 -4.205058034e+00 -4.205058034e+00 3.04 -4.117509102e+00 -4.117509102e+00 3.06 -4.028554923e+00 -4.028554923e+00 3.08 -3.938666229e+00 -3.938666229e+00 3.10 -3.848248157e+00 -3.848248157e+00 3.12 -3.757623382e+00 -3.757623382e+00 3.14 -3.667024137e+00 -3.667024137e+00 3.16 -3.576592751e+00 -3.576592751e+00 3.18 -3.486390108e+00 -3.486390108e+00 3.20 -3.396409370e+00 -3.396409370e+00 3.22 -3.306593094e+00 -3.306593094e+00 3.24 -3.216851937e+00 -3.216851937e+00 3.26 -3.127083675e+00 -3.127083675e+00 3.28 -3.037191553e+00 -3.037191553e+00 3.30 -2.947101186e+00 -2.947101186e+00 3.32 -2.856775247e+00 -2.856775247e+00 3.34 -2.766225228e+00 -2.766225228e+00 3.36 -2.675519557e+00 -2.675519557e+00 3.38 -2.584787549e+00 -2.584787549e+00 3.40 -2.494218835e+00 -2.494218835e+00 3.42 -2.404058384e+00 -2.404058384e+00 3.44 -2.314597242e+00 -2.314597242e+00 3.46 -2.226160024e+00 -2.226160024e+00 3.48 -2.139089888e+00 -2.139089888e+00 3.50 -2.053732218e+00 -2.053732218e+00 3.52 -1.970418196e+00 -1.970418196e+00 3.54 -1.889449395e+00 -1.889449395e+00 3.56 -1.811084455e+00 -1.811084455e+00 3.58 -1.735528793e+00 -1.735528793e+00 3.60 -1.662928105e+00 -1.662928105e+00 3.62 -1.593366185e+00 -1.593366185e+00 3.64 -1.526867098e+00 -1.526867098e+00 3.66 -1.463401313e+00 -1.463401313e+00 3.68 -1.402894864e+00 -1.402894864e+00 3.70 -1.345240347e+00 -1.345240347e+00 3.72 -1.290308441e+00 -1.290308441e+00 3.74 -1.237958805e+00 -1.237958805e+00 3.76 -1.188049449e+00 -1.188049449e+00 3.78 -1.140443973e+00 -1.140443973e+00 3.80 -1.095016385e+00 -1.095016385e+00 3.82 -1.051653446e+00 -1.051653446e+00 3.84 -1.010254768e+00 -1.010254768e+00 3.86 -9.707310661e-01 -9.707310661e-01 3.88 -9.330011815e-01 -9.330011815e-01 3.90 -8.969885495e-01 -8.969885495e-01 3.92 -8.626177553e-01 -8.626177553e-01 3.94 -8.298119110e-01 -8.298119110e-01 3.96 -7.984906981e-01 -7.984906981e-01 3.98 -7.685698364e-01 -7.685698364e-01 4.00 -7.399613398e-01 -7.399613398e-01 4.02 -7.125745200e-01 -7.125745200e-01 4.04 -6.863173959e-01 -6.863173959e-01 4.06 -6.610982291e-01 -6.610982291e-01 4.08 -6.368269772e-01 -6.368269772e-01 4.10 -6.134164846e-01 -6.134164846e-01 4.12 -5.907837500e-01 -5.907837500e-01 4.14 -5.688503235e-01 -5.688503235e-01 4.16 -5.475432376e-01 -5.475432376e-01 4.18 -5.267955075e-01 -5.267955075e-01 4.20 -5.065467123e-01 -5.065467123e-01 4.22 -4.867436405e-01 -4.867436405e-01 4.24 -4.673410352e-01 -4.673410352e-01 4.26 -4.483024352e-01 -4.483024352e-01 4.28 -4.296010712e-01 -4.296010712e-01 4.30 -4.112207305e-01 -4.112207305e-01 4.32 -3.931564647e-01 -3.931564647e-01 4.34 -3.754149839e-01 -3.754149839e-01 4.36 -3.580145685e-01 -3.580145685e-01 4.38 -3.409843476e-01 -3.409843476e-01 4.40 -3.243628411e-01 -3.243628411e-01 4.42 -3.081957450e-01 -3.081957450e-01 4.44 -2.925330502e-01 -2.925330502e-01 4.46 -2.774256925e-01 -2.774256925e-01 4.48 -2.629220282e-01 -2.629220282e-01 4.50 -2.490644796e-01 -2.490644796e-01 4.52 -2.358866863e-01 -2.358866863e-01 4.54 -2.234114321e-01 -2.234114321e-01 4.56 -2.116495065e-01 -2.116495065e-01 4.58 -2.005995287e-01 -2.005995287e-01 4.60 -1.902486388e-01 -1.902486388e-01 4.62 -1.805738731e-01 -1.805738731e-01 4.64 -1.715439891e-01 -1.715439891e-01 4.66 -1.631215044e-01 -1.631215044e-01 4.68 -1.552647458e-01 -1.552647458e-01 4.70 -1.479297470e-01 -1.479297470e-01 4.72 -1.410716604e-01 -1.410716604e-01 4.74 -1.346466150e-01 -1.346466150e-01 4.76 -1.286126777e-01 -1.286126777e-01 4.78 -1.229303310e-01 -1.229303310e-01 4.80 -1.175630159e-01 -1.175630159e-01 4.82 -1.124776817e-01 -1.124776817e-01 4.84 -1.076447248e-01 -1.076447248e-01 4.86 -1.030382763e-01 -1.030382763e-01 4.88 -9.863615773e-02 -9.863615773e-02 4.90 -9.441981716e-02 -9.441981716e-02 4.92 -9.037420027e-02 -9.037420027e-02 4.94 -8.648755517e-02 -8.648755517e-02 4.96 -8.275116382e-02 -8.275116382e-02 4.98 -7.915899322e-02 -7.915899322e-02 5.00 -7.570726652e-02 -7.570726652e-02 5.02 -7.239396231e-02 -7.239396231e-02 5.04 -6.921826345e-02 -6.921826345e-02 5.06 -6.617998811e-02 -6.617998811e-02 5.08 -6.327903780e-02 -6.327903780e-02 5.10 -6.051477850e-02 -6.051477850e-02 5.12 -5.788598314e-02 -5.788598314e-02 5.14 -5.539046443e-02 -5.539046443e-02 5.16 -5.302485249e-02 -5.302485249e-02 5.18 -5.078460292e-02 -5.078460292e-02 5.20 -4.866410724e-02 -4.866410724e-02 5.22 -4.665687551e-02 -4.665687551e-02 5.24 -4.475575887e-02 -4.475575887e-02 5.26 -4.295318275e-02 -4.295318275e-02 5.28 -4.124136759e-02 -4.124136759e-02 5.30 -3.961252172e-02 -3.961252172e-02 5.32 -3.805899793e-02 -3.805899793e-02 5.34 -3.657341191e-02 -3.657341191e-02 5.36 -3.514872490e-02 -3.514872490e-02 5.38 -3.377829574e-02 -3.377829574e-02 5.40 -3.245590905e-02 -3.245590905e-02 5.42 -3.117578645e-02 -3.117578645e-02 5.44 -2.993258748e-02 -2.993258748e-02 5.46 -2.872140610e-02 -2.872140610e-02 5.48 -2.753776756e-02 -2.753776756e-02 5.50 -2.637762960e-02 -2.637762960e-02 5.52 -2.523739062e-02 -2.523739062e-02 5.54 -2.411390662e-02 -2.411390662e-02 5.56 -2.300451708e-02 -2.300451708e-02 5.58 -2.190707960e-02 -2.190707960e-02 5.60 -2.082001105e-02 -2.082001105e-02 5.62 -1.974233195e-02 -1.974233195e-02 5.64 -1.867370929e-02 -1.867370929e-02 5.66 -1.761449194e-02 -1.761449194e-02 5.68 -1.656573179e-02 -1.656573179e-02 5.70 -1.552918344e-02 -1.552918344e-02 5.72 -1.450727572e-02 -1.450727572e-02 5.74 -1.350304984e-02 -1.350304984e-02 5.76 -1.252005929e-02 -1.252005929e-02 5.78 -1.156212881e-02 -1.156212881e-02 5.80 -1.063339028e-02 -1.063339028e-02 5.82 -9.738083608e-03 -9.738083608e-03 5.84 -8.880279503e-03 -8.880279503e-03 5.86 -8.063689280e-03 -8.063689280e-03 5.88 -7.291495045e-03 -7.291495045e-03 5.90 -6.566213309e-03 -6.566213309e-03 5.92 -5.889601446e-03 -5.889601446e-03 5.94 -5.262611765e-03 -5.262611765e-03 5.96 -4.685392956e-03 -4.685392956e-03 5.98 -4.157334154e-03 -4.157334154e-03 6.00 -3.677143462e-03 -3.677143462e-03