# 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 = Co2CrNi # 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 -4.029369342e+02 -4.029369342e+02 1.04 -3.801971401e+02 -3.801971401e+02 1.06 -3.589099840e+02 -3.589099840e+02 1.08 -3.391486263e+02 -3.391486263e+02 1.10 -3.205381019e+02 -3.205381019e+02 1.12 -3.025834245e+02 -3.025834245e+02 1.14 -2.851624229e+02 -2.851624229e+02 1.16 -2.683325730e+02 -2.683325730e+02 1.18 -2.523788621e+02 -2.523788621e+02 1.20 -2.377023746e+02 -2.377023746e+02 1.22 -2.243904769e+02 -2.243904769e+02 1.24 -2.122107223e+02 -2.122107223e+02 1.26 -2.009564598e+02 -2.009564598e+02 1.28 -1.905714006e+02 -1.905714006e+02 1.30 -1.808960035e+02 -1.808960035e+02 1.32 -1.716942351e+02 -1.716942351e+02 1.34 -1.627727400e+02 -1.627727400e+02 1.36 -1.541299925e+02 -1.541299925e+02 1.38 -1.458686219e+02 -1.458686219e+02 1.40 -1.379845925e+02 -1.379845925e+02 1.42 -1.303105124e+02 -1.303105124e+02 1.44 -1.226824907e+02 -1.226824907e+02 1.46 -1.150101361e+02 -1.150101361e+02 1.48 -1.072893426e+02 -1.072893426e+02 1.50 -9.958466300e+01 -9.958466300e+01 1.52 -9.197821398e+01 -9.197821398e+01 1.54 -8.451982608e+01 -8.451982608e+01 1.56 -7.718723434e+01 -7.718723434e+01 1.58 -6.990801541e+01 -6.990801541e+01 1.60 -6.263085914e+01 -6.263085914e+01 1.62 -5.539779507e+01 -5.539779507e+01 1.64 -4.834827984e+01 -4.834827984e+01 1.66 -4.163851926e+01 -4.163851926e+01 1.68 -3.534896528e+01 -3.534896528e+01 1.70 -2.948167844e+01 -2.948167844e+01 1.72 -2.403689940e+01 -2.403689940e+01 1.74 -1.902824956e+01 -1.902824956e+01 1.76 -1.446190015e+01 -1.446190015e+01 1.78 -1.030645215e+01 -1.030645215e+01 1.80 -6.893056406e+00 -6.893056406e+00 1.82 -4.471129954e+00 -4.471129954e+00 1.84 -2.804891816e+00 -2.804891816e+00 1.86 -1.717860104e+00 -1.717860104e+00 1.88 -1.066117058e+00 -1.066117058e+00 1.90 -7.294375271e-01 -7.294375271e-01 1.92 -6.115294108e-01 -6.115294108e-01 1.94 -6.435609786e-01 -6.435609786e-01 1.96 -7.776492588e-01 -7.776492588e-01 1.98 -9.775381412e-01 -9.775381412e-01 2.00 -1.216762027e+00 -1.216762027e+00 2.02 -1.476481702e+00 -1.476481702e+00 2.04 -1.744316004e+00 -1.744316004e+00 2.06 -2.012422708e+00 -2.012422708e+00 2.08 -2.275901706e+00 -2.275901706e+00 2.10 -2.530456634e+00 -2.530456634e+00 2.12 -2.772558007e+00 -2.772558007e+00 2.14 -2.999225436e+00 -2.999225436e+00 2.16 -3.207531488e+00 -3.207531488e+00 2.18 -3.394444176e+00 -3.394444176e+00 2.20 -3.556175067e+00 -3.556175067e+00 2.22 -3.690996237e+00 -3.690996237e+00 2.24 -3.801521378e+00 -3.801521378e+00 2.26 -3.891741327e+00 -3.891741327e+00 2.28 -3.965553155e+00 -3.965553155e+00 2.30 -4.025705898e+00 -4.025705898e+00 2.32 -4.074765243e+00 -4.074765243e+00 2.34 -4.115240453e+00 -4.115240453e+00 2.36 -4.149343735e+00 -4.149343735e+00 2.38 -4.178780450e+00 -4.178780450e+00 2.40 -4.204190317e+00 -4.204190317e+00 2.42 -4.225344740e+00 -4.225344740e+00 2.44 -4.241524100e+00 -4.241524100e+00 2.46 -4.252171309e+00 -4.252171309e+00 2.48 -4.257367682e+00 -4.257367682e+00 2.50 -4.257287469e+00 -4.257287469e+00 2.52 -4.251586730e+00 -4.251586730e+00 2.54 -4.239667787e+00 -4.239667787e+00 2.56 -4.220923055e+00 -4.220923055e+00 2.58 -4.194914790e+00 -4.194914790e+00 2.60 -4.161627835e+00 -4.161627835e+00 2.62 -4.121280256e+00 -4.121280256e+00 2.64 -4.074275279e+00 -4.074275279e+00 2.66 -4.021145948e+00 -4.021145948e+00 2.68 -3.962370867e+00 -3.962370867e+00 2.70 -3.898431534e+00 -3.898431534e+00 2.72 -3.829856457e+00 -3.829856457e+00 2.74 -3.757224920e+00 -3.757224920e+00 2.76 -3.681232699e+00 -3.681232699e+00 2.78 -3.602746576e+00 -3.602746576e+00 2.80 -3.522836118e+00 -3.522836118e+00 2.82 -3.442563135e+00 -3.442563135e+00 2.84 -3.362772756e+00 -3.362772756e+00 2.86 -3.283981992e+00 -3.283981992e+00 2.88 -3.206249280e+00 -3.206249280e+00 2.90 -3.129244617e+00 -3.129244617e+00 2.92 -3.052754193e+00 -3.052754193e+00 2.94 -2.976278558e+00 -2.976278558e+00 2.96 -2.899010408e+00 -2.899010408e+00 2.98 -2.820392017e+00 -2.820392017e+00 3.00 -2.740180414e+00 -2.740180414e+00 3.02 -2.658390716e+00 -2.658390716e+00 3.04 -2.575211583e+00 -2.575211583e+00 3.06 -2.490819928e+00 -2.490819928e+00 3.08 -2.405297990e+00 -2.405297990e+00 3.10 -2.318842602e+00 -2.318842602e+00 3.12 -2.231829341e+00 -2.231829341e+00 3.14 -2.144858661e+00 -2.144858661e+00 3.16 -2.058598049e+00 -2.058598049e+00 3.18 -1.973712573e+00 -1.973712573e+00 3.20 -1.890756931e+00 -1.890756931e+00 3.22 -1.810160277e+00 -1.810160277e+00 3.24 -1.732271055e+00 -1.732271055e+00 3.26 -1.657348166e+00 -1.657348166e+00 3.28 -1.585555288e+00 -1.585555288e+00 3.30 -1.516955339e+00 -1.516955339e+00 3.32 -1.451507368e+00 -1.451507368e+00 3.34 -1.389071057e+00 -1.389071057e+00 3.36 -1.329446226e+00 -1.329446226e+00 3.38 -1.272400434e+00 -1.272400434e+00 3.40 -1.217714850e+00 -1.217714850e+00 3.42 -1.165285675e+00 -1.165285675e+00 3.44 -1.115047369e+00 -1.115047369e+00 3.46 -1.066956487e+00 -1.066956487e+00 3.48 -1.020986895e+00 -1.020986895e+00 3.50 -9.771198699e-01 -9.771198699e-01 3.52 -9.353340499e-01 -9.353340499e-01 3.54 -8.955981192e-01 -8.955981192e-01 3.56 -8.578671567e-01 -8.578671567e-01 3.58 -8.220658791e-01 -8.220658791e-01 3.60 -7.880826394e-01 -7.880826394e-01 3.62 -7.557999403e-01 -7.557999403e-01 3.64 -7.250996451e-01 -7.250996451e-01 3.66 -6.958855373e-01 -6.958855373e-01 3.68 -6.680698037e-01 -6.680698037e-01 3.70 -6.415623058e-01 -6.415623058e-01 3.72 -6.162703288e-01 -6.162703288e-01 3.74 -5.920987247e-01 -5.920987247e-01 3.76 -5.689495780e-01 -5.689495780e-01 3.78 -5.467223158e-01 -5.467223158e-01 3.80 -5.253133700e-01 -5.253133700e-01 3.82 -5.046160699e-01 -5.046160699e-01 3.84 -4.845204900e-01 -4.845204900e-01 3.86 -4.649185955e-01 -4.649185955e-01 3.88 -4.457461211e-01 -4.457461211e-01 3.90 -4.269622242e-01 -4.269622242e-01 3.92 -4.085263451e-01 -4.085263451e-01 3.94 -3.904040820e-01 -3.904040820e-01 3.96 -3.725732501e-01 -3.725732501e-01 3.98 -3.550151644e-01 -3.550151644e-01 4.00 -3.377132193e-01 -3.377132193e-01 4.02 -3.206532183e-01 -3.206532183e-01 4.04 -3.038234731e-01 -3.038234731e-01 4.06 -2.872145998e-01 -2.872145998e-01 4.08 -2.708198258e-01 -2.708198258e-01 4.10 -2.546349539e-01 -2.546349539e-01 4.12 -2.386579530e-01 -2.386579530e-01 4.14 -2.228776888e-01 -2.228776888e-01 4.16 -2.072662054e-01 -2.072662054e-01 4.18 -1.917963837e-01 -1.917963837e-01 4.20 -1.764517709e-01 -1.764517709e-01 4.22 -1.612632970e-01 -1.612632970e-01 4.24 -1.462791191e-01 -1.462791191e-01 4.26 -1.315495659e-01 -1.315495659e-01 4.28 -1.171268346e-01 -1.171268346e-01 4.30 -1.030648070e-01 -1.030648070e-01 4.32 -8.943997865e-02 -8.943997865e-02 4.34 -7.667906176e-02 -7.667906176e-02 4.36 -6.527380674e-02 -6.527380674e-02 4.38 -5.547699674e-02 -5.547699674e-02 4.40 -4.732971780e-02 -4.732971780e-02 4.42 -4.070037192e-02 -4.070037192e-02 4.44 -3.532879119e-02 -3.532879119e-02 4.46 -3.087452152e-02 -3.087452152e-02 4.48 -2.696636922e-02 -2.696636922e-02 4.50 -2.325001270e-02 -2.325001270e-02 4.52 -1.943164295e-02 -1.943164295e-02 4.54 -1.532788278e-02 -1.532788278e-02 4.56 -1.088191761e-02 -1.088191761e-02 4.58 -6.138465369e-03 -6.138465369e-03 4.60 -1.213338017e-03 -1.213338017e-03 4.62 3.740563889e-03 3.740563889e-03 4.64 8.566752723e-03 8.566752723e-03 4.66 1.313175962e-02 1.313175962e-02 4.68 1.734080472e-02 1.734080472e-02 4.70 2.114196810e-02 2.114196810e-02 4.72 2.452055278e-02 2.452055278e-02 4.74 2.748826037e-02 2.748826037e-02 4.76 3.007224003e-02 3.007224003e-02 4.78 3.231939498e-02 3.231939498e-02 4.80 3.428300909e-02 3.428300909e-02 4.82 3.599546987e-02 3.599546987e-02 4.84 3.748357334e-02 3.748357334e-02 4.86 3.877125396e-02 3.877125396e-02 4.88 3.987840624e-02 3.987840624e-02 4.90 4.081938284e-02 4.081938284e-02 4.92 4.160196331e-02 4.160196331e-02 4.94 4.222648914e-02 4.222648914e-02 4.96 4.269786533e-02 4.269786533e-02 4.98 4.306899046e-02 4.306899046e-02 5.00 4.337616397e-02 4.337616397e-02 5.02 4.362728438e-02 4.362728438e-02 5.04 4.380755726e-02 4.380755726e-02 5.06 4.389004360e-02 4.389004360e-02 5.08 4.383675989e-02 4.383675989e-02 5.10 4.360092672e-02 4.360092672e-02 5.12 4.313405862e-02 4.313405862e-02 5.14 4.239269439e-02 4.239269439e-02 5.16 4.134504591e-02 4.134504591e-02 5.18 3.997637196e-02 3.997637196e-02 5.20 3.829255322e-02 3.829255322e-02 5.22 3.632285831e-02 3.632285831e-02 5.24 3.412288564e-02 3.412288564e-02 5.26 3.176186020e-02 3.176186020e-02 5.28 2.931147688e-02 2.931147688e-02 5.30 2.683817772e-02 2.683817772e-02 5.32 2.439713686e-02 2.439713686e-02 5.34 2.202853604e-02 2.202853604e-02 5.36 1.975733304e-02 1.975733304e-02 5.38 1.759558835e-02 1.759558835e-02 5.40 1.554694980e-02 1.554694980e-02 5.42 1.361162030e-02 1.361162030e-02 5.44 1.179043637e-02 1.179043637e-02 5.46 1.008764600e-02 1.008764600e-02 5.48 8.511551240e-03 8.511551240e-03 5.50 7.074127476e-03 7.074127476e-03 5.52 5.789800599e-03 5.789800599e-03 5.54 4.666733004e-03 4.666733004e-03 5.56 3.696633267e-03 3.696633267e-03 5.58 2.868992377e-03 2.868992377e-03 5.60 2.173281630e-03 2.173281630e-03 5.62 1.598803205e-03 1.598803205e-03 5.64 1.134515640e-03 1.134515640e-03 5.66 7.693306344e-04 7.693306344e-04 5.68 4.918193681e-04 4.918193681e-04 5.70 2.903319015e-04 2.903319015e-04 5.72 1.529359923e-04 1.529359923e-04 5.74 6.752441676e-05 6.752441676e-05 5.76 2.186634114e-05 2.186634114e-05 5.78 3.512540106e-06 3.512540106e-06 5.80 2.346974025e-09 2.363053023e-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