# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = Fe2MnNi # 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 3.103750045e+04 3.103750045e+04 1.12 2.496125214e+04 2.496125214e+04 1.14 2.014837715e+04 2.014837715e+04 1.16 1.632092615e+04 1.632092615e+04 1.18 1.326539218e+04 1.326539218e+04 1.20 1.081702600e+04 1.081702600e+04 1.22 8.848145705e+03 8.848145705e+03 1.24 7.259377963e+03 7.259377963e+03 1.26 5.973065986e+03 5.973065986e+03 1.28 4.928283650e+03 4.928283650e+03 1.30 4.077046900e+03 4.077046900e+03 1.32 3.381425693e+03 3.381425693e+03 1.34 2.811330239e+03 2.811330239e+03 1.36 2.342806651e+03 2.342806651e+03 1.38 1.956722066e+03 1.956722066e+03 1.40 1.637744964e+03 1.637744964e+03 1.42 1.373550555e+03 1.373550555e+03 1.44 1.154200555e+03 1.154200555e+03 1.46 9.716578692e+02 9.716578692e+02 1.48 8.194043576e+02 8.194043576e+02 1.50 6.921393061e+02 6.921393061e+02 1.52 5.855398895e+02 5.855398895e+02 1.54 4.960715011e+02 4.960715011e+02 1.56 4.208365339e+02 4.208365339e+02 1.58 3.574535615e+02 3.574535615e+02 1.60 3.039610302e+02 3.039610302e+02 1.62 2.587392021e+02 2.587392021e+02 1.64 2.204470123e+02 2.204470123e+02 1.66 1.879719508e+02 1.879719508e+02 1.68 1.603892125e+02 1.603892125e+02 1.70 1.369284404e+02 1.369284404e+02 1.72 1.169467354e+02 1.169467354e+02 1.74 9.990660490e+01 9.990660490e+01 1.76 8.535769883e+01 8.535769883e+01 1.78 7.292177729e+01 7.292177729e+01 1.80 6.228071870e+01 6.228071870e+01 1.82 5.316659486e+01 5.316659486e+01 1.84 4.535326220e+01 4.535326220e+01 1.86 3.864959223e+01 3.864959223e+01 1.88 3.289387555e+01 3.289387555e+01 1.90 2.794912466e+01 2.794912466e+01 1.92 2.369916397e+01 2.369916397e+01 1.94 2.004518196e+01 2.004518196e+01 1.96 1.690285533e+01 1.690285533e+01 1.98 1.420003717e+01 1.420003717e+01 2.00 1.187508705e+01 1.187508705e+01 2.02 9.875321658e+00 9.875321658e+00 2.04 8.155671989e+00 8.155671989e+00 2.06 6.677442972e+00 6.677442972e+00 2.08 5.407435793e+00 5.407435793e+00 2.10 4.317142053e+00 4.317142053e+00 2.12 3.382040201e+00 3.382040201e+00 2.14 2.581025059e+00 2.581025059e+00 2.16 1.895925549e+00 1.895925549e+00 2.18 1.311096304e+00 1.311096304e+00 2.20 8.130715825e-01 8.130715825e-01 2.22 3.902310380e-01 3.902310380e-01 2.24 3.241102779e-02 3.241102779e-02 2.26 -2.692113899e-01 -2.692113899e-01 2.28 -5.222672265e-01 -5.222672265e-01 2.30 -7.333591771e-01 -7.333591771e-01 2.32 -9.081951932e-01 -9.081951932e-01 2.34 -1.051702975e+00 -1.051702975e+00 2.36 -1.168183175e+00 -1.168183175e+00 2.38 -1.261441013e+00 -1.261441013e+00 2.40 -1.334790773e+00 -1.334790773e+00 2.42 -1.391110978e+00 -1.391110978e+00 2.44 -1.432897731e+00 -1.432897731e+00 2.46 -1.462310387e+00 -1.462310387e+00 2.48 -1.481210633e+00 -1.481210633e+00 2.50 -1.491195906e+00 -1.491195906e+00 2.52 -1.493627933e+00 -1.493627933e+00 2.54 -1.489657087e+00 -1.489657087e+00 2.56 -1.480243237e+00 -1.480243237e+00 2.58 -1.466205754e+00 -1.466205754e+00 2.60 -1.448286038e+00 -1.448286038e+00 2.62 -1.427105719e+00 -1.427105719e+00 2.64 -1.403188542e+00 -1.403188542e+00 2.66 -1.377034497e+00 -1.377034497e+00 2.68 -1.349096831e+00 -1.349096831e+00 2.70 -1.319766769e+00 -1.319766769e+00 2.72 -1.289366429e+00 -1.289366429e+00 2.74 -1.258159553e+00 -1.258159553e+00 2.76 -1.226372756e+00 -1.226372756e+00 2.78 -1.194200729e+00 -1.194200729e+00 2.80 -1.161810160e+00 -1.161810160e+00 2.82 -1.129343092e+00 -1.129343092e+00 2.84 -1.096919767e+00 -1.096919767e+00 2.86 -1.064641046e+00 -1.064641046e+00 2.88 -1.032595085e+00 -1.032595085e+00 2.90 -1.000869322e+00 -1.000869322e+00 2.92 -9.695427751e-01 -9.695427751e-01 2.94 -9.386851311e-01 -9.386851311e-01 2.96 -9.083578742e-01 -9.083578742e-01 2.98 -8.786152223e-01 -8.786152223e-01 3.00 -8.495048883e-01 -8.495048883e-01 3.02 -8.210686906e-01 -8.210686906e-01 3.04 -7.933430308e-01 -7.933430308e-01 3.06 -7.663592542e-01 -7.663592542e-01 3.08 -7.401439084e-01 -7.401439084e-01 3.10 -7.147189121e-01 -7.147189121e-01 3.12 -6.901016435e-01 -6.901016435e-01 3.14 -6.663049609e-01 -6.663049609e-01 3.16 -6.433371085e-01 -6.433371085e-01 3.18 -6.211981575e-01 -6.211981575e-01 3.20 -5.998783555e-01 -5.998783555e-01 3.22 -5.793637857e-01 -5.793637857e-01 3.24 -5.596366505e-01 -5.596366505e-01 3.26 -5.406749534e-01 -5.406749534e-01 3.28 -5.224521510e-01 -5.224521510e-01 3.30 -5.049367809e-01 -5.049367809e-01 3.32 -4.880950381e-01 -4.880950381e-01 3.34 -4.719001413e-01 -4.719001413e-01 3.36 -4.563245626e-01 -4.563245626e-01 3.38 -4.413369557e-01 -4.413369557e-01 3.40 -4.269018331e-01 -4.269018331e-01 3.42 -4.129792318e-01 -4.129792318e-01 3.44 -3.995243680e-01 -3.995243680e-01 3.46 -3.864895290e-01 -3.864895290e-01 3.48 -3.738491497e-01 -3.738491497e-01 3.50 -3.615943137e-01 -3.615943137e-01 3.52 -3.497169814e-01 -3.497169814e-01 3.54 -3.382096575e-01 -3.382096575e-01 3.56 -3.270653382e-01 -3.270653382e-01 3.58 -3.162774540e-01 -3.162774540e-01 3.60 -3.058398096e-01 -3.058398096e-01 3.62 -2.957465197e-01 -2.957465197e-01 3.64 -2.859919427e-01 -2.859919427e-01 3.66 -2.765706118e-01 -2.765706118e-01 3.68 -2.674771644e-01 -2.674771644e-01 3.70 -2.587062690e-01 -2.587062690e-01 3.72 -2.502525516e-01 -2.502525516e-01 3.74 -2.421105195e-01 -2.421105195e-01 3.76 -2.342744855e-01 -2.342744855e-01 3.78 -2.267384897e-01 -2.267384897e-01 3.80 -2.194962219e-01 -2.194962219e-01 3.82 -2.125409418e-01 -2.125409418e-01 3.84 -2.058654003e-01 -2.058654003e-01 3.86 -1.994617587e-01 -1.994617587e-01 3.88 -1.933215094e-01 -1.933215094e-01 3.90 -1.874353941e-01 -1.874353941e-01 3.92 -1.817933239e-01 -1.817933239e-01 3.94 -1.763842979e-01 -1.763842979e-01 3.96 -1.711963223e-01 -1.711963223e-01 3.98 -1.662163288e-01 -1.662163288e-01 4.00 -1.614300939e-01 -1.614300939e-01 4.02 -1.568221574e-01 -1.568221574e-01 4.04 -1.523757415e-01 -1.523757415e-01 4.06 -1.480745173e-01 -1.480745173e-01 4.08 -1.439106676e-01 -1.439106676e-01 4.10 -1.398794138e-01 -1.398794138e-01 4.12 -1.359761504e-01 -1.359761504e-01 4.14 -1.321964384e-01 -1.321964384e-01 4.16 -1.285359991e-01 -1.285359991e-01 4.18 -1.249907087e-01 -1.249907087e-01 4.20 -1.215565930e-01 -1.215565930e-01 4.22 -1.182298221e-01 -1.182298221e-01 4.24 -1.150067052e-01 -1.150067052e-01 4.26 -1.118836857e-01 -1.118836857e-01 4.28 -1.088573362e-01 -1.088573362e-01 4.30 -1.059243542e-01 -1.059243542e-01 4.32 -1.030815570e-01 -1.030815570e-01 4.34 -1.003258778e-01 -1.003258778e-01 4.36 -9.765436112e-02 -9.765436112e-02 4.38 -9.506415881e-02 -9.506415881e-02 4.40 -9.255252612e-02 -9.255252612e-02 4.42 -9.011681777e-02 -9.011681777e-02 4.44 -8.775448429e-02 -8.775448429e-02 4.46 -8.546306841e-02 -8.546306841e-02 4.48 -8.323990515e-02 -8.323990515e-02 4.50 -8.108128375e-02 -8.108128375e-02 4.52 -7.898344004e-02 -7.898344004e-02 4.54 -7.694286229e-02 -7.694286229e-02 4.56 -7.495628246e-02 -7.495628246e-02 4.58 -7.302066756e-02 -7.302066756e-02 4.60 -7.113321101e-02 -7.113321101e-02 4.62 -6.929132410e-02 -6.929132410e-02 4.64 -6.749262750e-02 -6.749262750e-02 4.66 -6.573494292e-02 -6.573494292e-02 4.68 -6.401628467e-02 -6.401628467e-02 4.70 -6.233485147e-02 -6.233485147e-02 4.72 -6.068901814e-02 -6.068901814e-02 4.74 -5.907732749e-02 -5.907732749e-02 4.76 -5.749848221e-02 -5.749848221e-02 4.78 -5.595133677e-02 -5.595133677e-02 4.80 -5.443488946e-02 -5.443488946e-02 4.82 -5.294827441e-02 -5.294827441e-02 4.84 -5.149075370e-02 -5.149075370e-02 4.86 -5.006170948e-02 -5.006170948e-02 4.88 -4.866063619e-02 -4.866063619e-02 4.90 -4.728713275e-02 -4.728713275e-02 4.92 -4.594089487e-02 -4.594089487e-02 4.94 -4.462170734e-02 -4.462170734e-02 4.96 -4.332943640e-02 -4.332943640e-02 4.98 -4.206402211e-02 -4.206402211e-02 5.00 -4.082547078e-02 -4.082547078e-02 5.02 -3.961384744e-02 -3.961384744e-02 5.04 -3.842926835e-02 -3.842926835e-02 5.06 -3.727189350e-02 -3.727189350e-02 5.08 -3.614191916e-02 -3.614191916e-02 5.10 -3.503957051e-02 -3.503957051e-02 5.12 -3.396509423e-02 -3.396509423e-02 5.14 -3.291875114e-02 -3.291875114e-02 5.16 -3.190077627e-02 -3.190077627e-02 5.18 -3.091067301e-02 -3.091067301e-02 5.20 -2.994728675e-02 -2.994728675e-02 5.22 -2.900954719e-02 -2.900954719e-02 5.24 -2.809649068e-02 -2.809649068e-02 5.26 -2.720724931e-02 -2.720724931e-02 5.28 -2.634103993e-02 -2.634103993e-02 5.30 -2.549715317e-02 -2.549715317e-02 5.32 -2.467494255e-02 -2.467494255e-02 5.34 -2.387381348e-02 -2.387381348e-02 5.36 -2.309321231e-02 -2.309321231e-02 5.38 -2.233261538e-02 -2.233261538e-02 5.40 -2.159151806e-02 -2.159151806e-02 5.42 -2.086942382e-02 -2.086942382e-02 5.44 -2.016583323e-02 -2.016583323e-02 5.46 -1.948023305e-02 -1.948023305e-02 5.48 -1.881208524e-02 -1.881208524e-02 5.50 -1.816081603e-02 -1.816081603e-02 5.52 -1.752580496e-02 -1.752580496e-02 5.54 -1.690637391e-02 -1.690637391e-02 5.56 -1.630177617e-02 -1.630177617e-02 5.58 -1.571118545e-02 -1.571118545e-02 5.60 -1.513368497e-02 -1.513368497e-02 5.62 -1.456825648e-02 -1.456825648e-02 5.64 -1.401376928e-02 -1.401376928e-02 5.66 -1.346896932e-02 -1.346896932e-02 5.68 -1.293246820e-02 -1.293246820e-02 5.70 -1.240273226e-02 -1.240273226e-02 5.72 -1.187807549e-02 -1.187807549e-02 5.74 -1.135738371e-02 -1.135738371e-02 5.76 -1.084105587e-02 -1.084105587e-02 5.78 -1.032971876e-02 -1.032971876e-02 5.80 -9.824023316e-03 -9.824023316e-03 5.82 -9.324640339e-03 -9.324640339e-03 5.84 -8.832256168e-03 -8.832256168e-03 5.86 -8.347568387e-03 -8.347568387e-03 5.88 -7.871281514e-03 -7.871281514e-03 5.90 -7.404102694e-03 -7.404102694e-03 5.92 -6.946737394e-03 -6.946737394e-03 5.94 -6.499885097e-03 -6.499885097e-03 5.96 -6.064234994e-03 -6.064234994e-03 5.98 -5.640461680e-03 -5.640461680e-03 6.00 -5.229220846e-03 -5.229220846e-03