# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = Cr2FeNi # 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 2024-03-01 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 -4.612155804e+02 -4.612155804e+02 1.04 -4.338853959e+02 -4.338853959e+02 1.06 -4.086845566e+02 -4.086845566e+02 1.08 -3.854198749e+02 -3.854198749e+02 1.10 -3.638157369e+02 -3.638157369e+02 1.12 -3.436739670e+02 -3.436739670e+02 1.14 -3.248080423e+02 -3.248080423e+02 1.16 -3.069882245e+02 -3.069882245e+02 1.18 -2.900025607e+02 -2.900025607e+02 1.20 -2.737137031e+02 -2.737137031e+02 1.22 -2.581758600e+02 -2.581758600e+02 1.24 -2.436182143e+02 -2.436182143e+02 1.26 -2.301759190e+02 -2.301759190e+02 1.28 -2.177896083e+02 -2.177896083e+02 1.30 -2.062584722e+02 -2.062584722e+02 1.32 -1.954311727e+02 -1.954311727e+02 1.34 -1.851936384e+02 -1.851936384e+02 1.36 -1.753889096e+02 -1.753889096e+02 1.38 -1.658560575e+02 -1.658560575e+02 1.40 -1.565068058e+02 -1.565068058e+02 1.42 -1.473129686e+02 -1.473129686e+02 1.44 -1.382643463e+02 -1.382643463e+02 1.46 -1.293401259e+02 -1.293401259e+02 1.48 -1.205074480e+02 -1.205074480e+02 1.50 -1.117514292e+02 -1.117514292e+02 1.52 -1.030764811e+02 -1.030764811e+02 1.54 -9.450384137e+01 -9.450384137e+01 1.56 -8.609709440e+01 -8.609709440e+01 1.58 -7.796501719e+01 -7.796501719e+01 1.60 -7.021352848e+01 -7.021352848e+01 1.62 -6.288949526e+01 -6.288949526e+01 1.64 -5.599580763e+01 -5.599580763e+01 1.66 -4.953677648e+01 -4.953677648e+01 1.68 -4.351249917e+01 -4.351249917e+01 1.70 -3.789592608e+01 -3.789592608e+01 1.72 -3.264983874e+01 -3.264983874e+01 1.74 -2.773506527e+01 -2.773506527e+01 1.76 -2.313353153e+01 -2.313353153e+01 1.78 -1.884193420e+01 -1.884193420e+01 1.80 -1.486690833e+01 -1.486690833e+01 1.82 -1.133626130e+01 -1.133626130e+01 1.84 -8.334400239e+00 -8.334400239e+00 1.86 -6.109809054e+00 -6.109809054e+00 1.88 -4.529322104e+00 -4.529322104e+00 1.90 -3.442216359e+00 -3.442216359e+00 1.92 -2.729381966e+00 -2.729381966e+00 1.94 -2.297707577e+00 -2.297707577e+00 1.96 -2.072848013e+00 -2.072848013e+00 1.98 -1.993713849e+00 -1.993713849e+00 2.00 -2.014875592e+00 -2.014875592e+00 2.02 -2.103382514e+00 -2.103382514e+00 2.04 -2.235812929e+00 -2.235812929e+00 2.06 -2.395049200e+00 -2.395049200e+00 2.08 -2.567859924e+00 -2.567859924e+00 2.10 -2.744951794e+00 -2.744951794e+00 2.12 -2.923151968e+00 -2.923151968e+00 2.14 -3.098968510e+00 -3.098968510e+00 2.16 -3.266900176e+00 -3.266900176e+00 2.18 -3.422101179e+00 -3.422101179e+00 2.20 -3.561827439e+00 -3.561827439e+00 2.22 -3.685741198e+00 -3.685741198e+00 2.24 -3.795545085e+00 -3.795545085e+00 2.26 -3.892218104e+00 -3.892218104e+00 2.28 -3.976415195e+00 -3.976415195e+00 2.30 -4.048110836e+00 -4.048110836e+00 2.32 -4.107288727e+00 -4.107288727e+00 2.34 -4.154134875e+00 -4.154134875e+00 2.36 -4.189146059e+00 -4.189146059e+00 2.38 -4.213187031e+00 -4.213187031e+00 2.40 -4.227258222e+00 -4.227258222e+00 2.42 -4.232603303e+00 -4.232603303e+00 2.44 -4.230511798e+00 -4.230511798e+00 2.46 -4.221915980e+00 -4.221915980e+00 2.48 -4.207500646e+00 -4.207500646e+00 2.50 -4.188191401e+00 -4.188191401e+00 2.52 -4.164676765e+00 -4.164676765e+00 2.54 -4.137052247e+00 -4.137052247e+00 2.56 -4.105346603e+00 -4.105346603e+00 2.58 -4.069619476e+00 -4.069619476e+00 2.60 -4.030111452e+00 -4.030111452e+00 2.62 -3.987112500e+00 -3.987112500e+00 2.64 -3.940895769e+00 -3.940895769e+00 2.66 -3.891730083e+00 -3.891730083e+00 2.68 -3.839733746e+00 -3.839733746e+00 2.70 -3.784966648e+00 -3.784966648e+00 2.72 -3.727519924e+00 -3.727519924e+00 2.74 -3.667495399e+00 -3.667495399e+00 2.76 -3.605005172e+00 -3.605005172e+00 2.78 -3.540329415e+00 -3.540329415e+00 2.80 -3.473967982e+00 -3.473967982e+00 2.82 -3.406538796e+00 -3.406538796e+00 2.84 -3.338699933e+00 -3.338699933e+00 2.86 -3.271089558e+00 -3.271089558e+00 2.88 -3.204217198e+00 -3.204217198e+00 2.90 -3.138238145e+00 -3.138238145e+00 2.92 -3.073297605e+00 -3.073297605e+00 2.94 -3.009524989e+00 -3.009524989e+00 2.96 -2.946956620e+00 -2.946956620e+00 2.98 -2.885456793e+00 -2.885456793e+00 3.00 -2.824850512e+00 -2.824850512e+00 3.02 -2.763204215e+00 -2.763204215e+00 3.04 -2.697240801e+00 -2.697240801e+00 3.06 -2.623757350e+00 -2.623757350e+00 3.08 -2.539538134e+00 -2.539538134e+00 3.10 -2.441390921e+00 -2.441390921e+00 3.12 -2.326442226e+00 -2.326442226e+00 3.14 -2.192149726e+00 -2.192149726e+00 3.16 -2.036313790e+00 -2.036313790e+00 3.18 -1.857292845e+00 -1.857292845e+00 3.20 -1.653650254e+00 -1.653650254e+00 3.22 -1.426960838e+00 -1.426960838e+00 3.24 -1.280298594e+00 -1.280298594e+00 3.26 -1.210591297e+00 -1.210591297e+00 3.28 -1.143234636e+00 -1.143234636e+00 3.30 -1.078201870e+00 -1.078201870e+00 3.32 -1.015418494e+00 -1.015418494e+00 3.34 -9.547959399e-01 -9.547959399e-01 3.36 -8.962653834e-01 -8.962653834e-01 3.38 -8.397922236e-01 -8.397922236e-01 3.40 -7.853920388e-01 -7.853920388e-01 3.42 -7.331608054e-01 -7.331608054e-01 3.44 -6.832000439e-01 -6.832000439e-01 3.46 -6.355879372e-01 -6.355879372e-01 3.48 -5.903708498e-01 -5.903708498e-01 3.50 -5.475615669e-01 -5.475615669e-01 3.52 -5.071429863e-01 -5.071429863e-01 3.54 -4.690753451e-01 -4.690753451e-01 3.56 -4.333038294e-01 -4.333038294e-01 3.58 -3.997501565e-01 -3.997501565e-01 3.60 -3.683063623e-01 -3.683063623e-01 3.62 -3.388615644e-01 -3.388615644e-01 3.64 -3.113076310e-01 -3.113076310e-01 3.66 -2.855554168e-01 -2.855554168e-01 3.68 -2.615245700e-01 -2.615245700e-01 3.70 -2.391366183e-01 -2.391366183e-01 3.72 -2.183149143e-01 -2.183149143e-01 3.74 -1.989848971e-01 -1.989848971e-01 3.76 -1.810740670e-01 -1.810740670e-01 3.78 -1.645120692e-01 -1.645120692e-01 3.80 -1.492305261e-01 -1.492305261e-01 3.82 -1.351632120e-01 -1.351632120e-01 3.84 -1.222457791e-01 -1.222457791e-01 3.86 -1.104162461e-01 -1.104162461e-01 3.88 -9.961739498e-02 -9.961739498e-02 3.90 -8.979458741e-02 -8.979458741e-02 3.92 -8.089433991e-02 -8.089433991e-02 3.94 -7.286379891e-02 -7.286379891e-02 3.96 -6.565037233e-02 -6.565037233e-02 3.98 -5.920247766e-02 -5.920247766e-02 4.00 -5.346949972e-02 -5.346949972e-02 4.02 -4.840179950e-02 -4.840179950e-02 4.04 -4.395092999e-02 -4.395092999e-02 4.06 -4.006253344e-02 -4.006253344e-02 4.08 -3.668834603e-02 -3.668834603e-02 4.10 -3.378604128e-02 -3.378604128e-02 4.12 -3.131485494e-02 -3.131485494e-02 4.14 -2.922919656e-02 -2.922919656e-02 4.16 -2.747457593e-02 -2.747457593e-02 4.18 -2.599384815e-02 -2.599384815e-02 4.20 -2.473320857e-02 -2.473320857e-02 4.22 -2.366586875e-02 -2.366586875e-02 4.24 -2.277479448e-02 -2.277479448e-02 4.26 -2.204492878e-02 -2.204492878e-02 4.28 -2.146447206e-02 -2.146447206e-02 4.30 -2.102515142e-02 -2.102515142e-02 4.32 -2.071547239e-02 -2.071547239e-02 4.34 -2.052332534e-02 -2.052332534e-02 4.36 -2.043724841e-02 -2.043724841e-02 4.38 -2.044633076e-02 -2.044633076e-02 4.40 -2.054018393e-02 -2.054018393e-02 4.42 -2.070912588e-02 -2.070912588e-02 4.44 -2.094431363e-02 -2.094431363e-02 4.46 -2.123771801e-02 -2.123771801e-02 4.48 -2.158221687e-02 -2.158221687e-02 4.50 -2.197158006e-02 -2.197158006e-02 4.52 -2.240073489e-02 -2.240073489e-02 4.54 -2.280695385e-02 -2.280695385e-02 4.56 -2.282506832e-02 -2.282506832e-02 4.58 -2.202584303e-02 -2.202584303e-02 4.60 -2.004926406e-02 -2.004926406e-02 4.62 -1.666739746e-02 -1.666739746e-02 4.64 -1.184110169e-02 -1.184110169e-02 4.66 -5.753492273e-03 -5.753492273e-03 4.68 1.196491577e-03 1.196491577e-03 4.70 8.447137904e-03 8.447137904e-03 4.72 1.536759613e-02 1.536759613e-02 4.74 2.136860184e-02 2.136860184e-02 4.76 2.600156003e-02 2.600156003e-02 4.78 2.902359477e-02 2.902359477e-02 4.80 3.040333696e-02 3.040333696e-02 4.82 3.027504770e-02 3.027504770e-02 4.84 2.888918739e-02 2.888918739e-02 4.86 2.654951857e-02 2.654951857e-02 4.88 2.355849665e-02 2.355849665e-02 4.90 2.018220491e-02 2.018220491e-02 4.92 1.663232022e-02 1.663232022e-02 4.94 1.306372738e-02 1.306372738e-02 4.96 9.580558746e-03 9.580558746e-03 4.98 6.247226298e-03 6.247226298e-03 5.00 3.100095120e-03 3.100095120e-03 5.02 1.586646642e-04 1.586646642e-04 5.04 -2.563755835e-03 -2.563755835e-03 5.06 -5.039978937e-03 -5.039978937e-03 5.08 -7.236521490e-03 -7.236521490e-03 5.10 -9.124783029e-03 -9.124783029e-03 5.12 -1.068156861e-02 -1.068156861e-02 5.14 -1.188988414e-02 -1.188988414e-02 5.16 -1.273934004e-02 -1.273934004e-02 5.18 -1.322704877e-02 -1.322704877e-02 5.20 -1.335808579e-02 -1.335808579e-02 5.22 -1.314693334e-02 -1.314693334e-02 5.24 -1.262059721e-02 -1.262059721e-02 5.26 -1.181462894e-02 -1.181462894e-02 5.28 -1.077173588e-02 -1.077173588e-02 5.30 -9.541599303e-03 -9.541599303e-03 5.32 -8.179762474e-03 -8.179762474e-03 5.34 -6.745924588e-03 -6.745924588e-03 5.36 -5.301215859e-03 -5.301215859e-03 5.38 -3.904969354e-03 -3.904969354e-03 5.40 -2.610962025e-03 -2.610962025e-03 5.42 -1.463858562e-03 -1.463858562e-03 5.44 -4.961985749e-04 -4.961985749e-04 5.46 2.736809478e-04 2.736809478e-04 5.48 8.423889475e-04 8.423889475e-04 5.50 1.220890342e-03 1.220890342e-03 5.52 1.432511874e-03 1.432511874e-03 5.54 1.506336023e-03 1.506336023e-03 5.56 1.468379967e-03 1.468379967e-03 5.58 1.346326708e-03 1.346326708e-03 5.60 1.168481077e-03 1.168481077e-03 5.62 9.614278295e-04 9.614278295e-04 5.64 7.482579603e-04 7.482579603e-04 5.66 5.475296583e-04 5.475296583e-04 5.68 3.725158406e-04 3.725158406e-04 5.70 2.312373725e-04 2.312373725e-04 5.72 1.267320119e-04 1.267320119e-04 5.74 5.766343118e-05 5.766343118e-05 5.76 1.906042754e-05 1.906042754e-05 5.78 3.098923391e-06 3.098923391e-06 5.80 3.528469829e-09 3.560366380e-09 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00