# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--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 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 -4.029369309e+02 -4.029369309e+02 1.04 -3.801971468e+02 -3.801971468e+02 1.06 -3.589099848e+02 -3.589099848e+02 1.08 -3.391486274e+02 -3.391486274e+02 1.10 -3.205381034e+02 -3.205381034e+02 1.12 -3.025834229e+02 -3.025834229e+02 1.14 -2.851624222e+02 -2.851624222e+02 1.16 -2.683325798e+02 -2.683325798e+02 1.18 -2.523788624e+02 -2.523788624e+02 1.20 -2.377023732e+02 -2.377023732e+02 1.22 -2.243904752e+02 -2.243904752e+02 1.24 -2.122107238e+02 -2.122107238e+02 1.26 -2.009564601e+02 -2.009564601e+02 1.28 -1.905713988e+02 -1.905713988e+02 1.30 -1.808960057e+02 -1.808960057e+02 1.32 -1.716942344e+02 -1.716942344e+02 1.34 -1.627727421e+02 -1.627727421e+02 1.36 -1.541299926e+02 -1.541299926e+02 1.38 -1.458686236e+02 -1.458686236e+02 1.40 -1.379845920e+02 -1.379845920e+02 1.42 -1.303105121e+02 -1.303105121e+02 1.44 -1.226824914e+02 -1.226824914e+02 1.46 -1.150101330e+02 -1.150101330e+02 1.48 -1.072893423e+02 -1.072893423e+02 1.50 -9.958466282e+01 -9.958466282e+01 1.52 -9.197821443e+01 -9.197821443e+01 1.54 -8.451982734e+01 -8.451982734e+01 1.56 -7.718723598e+01 -7.718723598e+01 1.58 -6.990801671e+01 -6.990801671e+01 1.60 -6.263085833e+01 -6.263085833e+01 1.62 -5.539779471e+01 -5.539779471e+01 1.64 -4.834827826e+01 -4.834827826e+01 1.66 -4.163851906e+01 -4.163851906e+01 1.68 -3.534896513e+01 -3.534896513e+01 1.70 -2.948167719e+01 -2.948167719e+01 1.72 -2.403689888e+01 -2.403689888e+01 1.74 -1.902824949e+01 -1.902824949e+01 1.76 -1.446190137e+01 -1.446190137e+01 1.78 -1.030645238e+01 -1.030645238e+01 1.80 -6.893056569e+00 -6.893056569e+00 1.82 -4.471128783e+00 -4.471128783e+00 1.84 -2.804892802e+00 -2.804892802e+00 1.86 -1.717860491e+00 -1.717860491e+00 1.88 -1.066116850e+00 -1.066116850e+00 1.90 -7.294376251e-01 -7.294376251e-01 1.92 -6.115294163e-01 -6.115294163e-01 1.94 -6.435609107e-01 -6.435609107e-01 1.96 -7.776493410e-01 -7.776493410e-01 1.98 -9.775381922e-01 -9.775381922e-01 2.00 -1.216761992e+00 -1.216761992e+00 2.02 -1.476481611e+00 -1.476481611e+00 2.04 -1.744316038e+00 -1.744316038e+00 2.06 -2.012422761e+00 -2.012422761e+00 2.08 -2.275901720e+00 -2.275901720e+00 2.10 -2.530456677e+00 -2.530456677e+00 2.12 -2.772558038e+00 -2.772558038e+00 2.14 -2.999225511e+00 -2.999225511e+00 2.16 -3.207531542e+00 -3.207531542e+00 2.18 -3.394444068e+00 -3.394444068e+00 2.20 -3.556175036e+00 -3.556175036e+00 2.22 -3.690996224e+00 -3.690996224e+00 2.24 -3.801521432e+00 -3.801521432e+00 2.26 -3.891741311e+00 -3.891741311e+00 2.28 -3.965553220e+00 -3.965553220e+00 2.30 -4.025705909e+00 -4.025705909e+00 2.32 -4.074765225e+00 -4.074765225e+00 2.34 -4.115240478e+00 -4.115240478e+00 2.36 -4.149343781e+00 -4.149343781e+00 2.38 -4.178780429e+00 -4.178780429e+00 2.40 -4.204190306e+00 -4.204190306e+00 2.42 -4.225344747e+00 -4.225344747e+00 2.44 -4.241524080e+00 -4.241524080e+00 2.46 -4.252171310e+00 -4.252171310e+00 2.48 -4.257367652e+00 -4.257367652e+00 2.50 -4.257287412e+00 -4.257287412e+00 2.52 -4.251586729e+00 -4.251586729e+00 2.54 -4.239667774e+00 -4.239667774e+00 2.56 -4.220923031e+00 -4.220923031e+00 2.58 -4.194914805e+00 -4.194914805e+00 2.60 -4.161627845e+00 -4.161627845e+00 2.62 -4.121280232e+00 -4.121280232e+00 2.64 -4.074275256e+00 -4.074275256e+00 2.66 -4.021145918e+00 -4.021145918e+00 2.68 -3.962370830e+00 -3.962370830e+00 2.70 -3.898431525e+00 -3.898431525e+00 2.72 -3.829856465e+00 -3.829856465e+00 2.74 -3.757224944e+00 -3.757224944e+00 2.76 -3.681232658e+00 -3.681232658e+00 2.78 -3.602746595e+00 -3.602746595e+00 2.80 -3.522836129e+00 -3.522836129e+00 2.82 -3.442563126e+00 -3.442563126e+00 2.84 -3.362772753e+00 -3.362772753e+00 2.86 -3.283981939e+00 -3.283981939e+00 2.88 -3.206249301e+00 -3.206249301e+00 2.90 -3.129244549e+00 -3.129244549e+00 2.92 -3.052754180e+00 -3.052754180e+00 2.94 -2.976278580e+00 -2.976278580e+00 2.96 -2.899010419e+00 -2.899010419e+00 2.98 -2.820392009e+00 -2.820392009e+00 3.00 -2.740180388e+00 -2.740180388e+00 3.02 -2.658390704e+00 -2.658390704e+00 3.04 -2.575211567e+00 -2.575211567e+00 3.06 -2.490819928e+00 -2.490819928e+00 3.08 -2.405298008e+00 -2.405298008e+00 3.10 -2.318842609e+00 -2.318842609e+00 3.12 -2.231829351e+00 -2.231829351e+00 3.14 -2.144858649e+00 -2.144858649e+00 3.16 -2.058598045e+00 -2.058598045e+00 3.18 -1.973712553e+00 -1.973712553e+00 3.20 -1.890756944e+00 -1.890756944e+00 3.22 -1.810160264e+00 -1.810160264e+00 3.24 -1.732271060e+00 -1.732271060e+00 3.26 -1.657348195e+00 -1.657348195e+00 3.28 -1.585555310e+00 -1.585555310e+00 3.30 -1.516955318e+00 -1.516955318e+00 3.32 -1.451507373e+00 -1.451507373e+00 3.34 -1.389071068e+00 -1.389071068e+00 3.36 -1.329446200e+00 -1.329446200e+00 3.38 -1.272400435e+00 -1.272400435e+00 3.40 -1.217714833e+00 -1.217714833e+00 3.42 -1.165285678e+00 -1.165285678e+00 3.44 -1.115047389e+00 -1.115047389e+00 3.46 -1.066956493e+00 -1.066956493e+00 3.48 -1.020986883e+00 -1.020986883e+00 3.50 -9.771198736e-01 -9.771198736e-01 3.52 -9.353340304e-01 -9.353340304e-01 3.54 -8.955981258e-01 -8.955981258e-01 3.56 -8.578671613e-01 -8.578671613e-01 3.58 -8.220658759e-01 -8.220658759e-01 3.60 -7.880826161e-01 -7.880826161e-01 3.62 -7.557999446e-01 -7.557999446e-01 3.64 -7.250996613e-01 -7.250996613e-01 3.66 -6.958855484e-01 -6.958855484e-01 3.68 -6.680698146e-01 -6.680698146e-01 3.70 -6.415623175e-01 -6.415623175e-01 3.72 -6.162703551e-01 -6.162703551e-01 3.74 -5.920987151e-01 -5.920987151e-01 3.76 -5.689496039e-01 -5.689496039e-01 3.78 -5.467223199e-01 -5.467223199e-01 3.80 -5.253133897e-01 -5.253133897e-01 3.82 -5.046160828e-01 -5.046160828e-01 3.84 -4.845204880e-01 -4.845204880e-01 3.86 -4.649185777e-01 -4.649185777e-01 3.88 -4.457461096e-01 -4.457461096e-01 3.90 -4.269622218e-01 -4.269622218e-01 3.92 -4.085263509e-01 -4.085263509e-01 3.94 -3.904040524e-01 -3.904040524e-01 3.96 -3.725732842e-01 -3.725732842e-01 3.98 -3.550151790e-01 -3.550151790e-01 4.00 -3.377132228e-01 -3.377132228e-01 4.02 -3.206532490e-01 -3.206532490e-01 4.04 -3.038234793e-01 -3.038234793e-01 4.06 -2.872145854e-01 -2.872145854e-01 4.08 -2.708198677e-01 -2.708198677e-01 4.10 -2.546349300e-01 -2.546349300e-01 4.12 -2.386579904e-01 -2.386579904e-01 4.14 -2.228777105e-01 -2.228777105e-01 4.16 -2.072662104e-01 -2.072662104e-01 4.18 -1.917963758e-01 -1.917963758e-01 4.20 -1.764517623e-01 -1.764517623e-01 4.22 -1.612633024e-01 -1.612633024e-01 4.24 -1.462791064e-01 -1.462791064e-01 4.26 -1.315495842e-01 -1.315495842e-01 4.28 -1.171268550e-01 -1.171268550e-01 4.30 -1.030647850e-01 -1.030647850e-01 4.32 -8.943998397e-02 -8.943998397e-02 4.34 -7.667905352e-02 -7.667905352e-02 4.36 -6.527381533e-02 -6.527381533e-02 4.38 -5.547695401e-02 -5.547695401e-02 4.40 -4.732970508e-02 -4.732970508e-02 4.42 -4.070036620e-02 -4.070036620e-02 4.44 -3.532878159e-02 -3.532878159e-02 4.46 -3.087452223e-02 -3.087452223e-02 4.48 -2.696635429e-02 -2.696635429e-02 4.50 -2.325001548e-02 -2.325001548e-02 4.52 -1.943165779e-02 -1.943165779e-02 4.54 -1.532787632e-02 -1.532787632e-02 4.56 -1.088193627e-02 -1.088193627e-02 4.58 -6.138457984e-03 -6.138457984e-03 4.60 -1.213341231e-03 -1.213341231e-03 4.62 3.740556310e-03 3.740556310e-03 4.64 8.566755561e-03 8.566755561e-03 4.66 1.313176485e-02 1.313176485e-02 4.68 1.734082248e-02 1.734082248e-02 4.70 2.114198098e-02 2.114198098e-02 4.72 2.452055336e-02 2.452055336e-02 4.74 2.748825006e-02 2.748825006e-02 4.76 3.007225290e-02 3.007225290e-02 4.78 3.231938464e-02 3.231938464e-02 4.80 3.428302295e-02 3.428302295e-02 4.82 3.599548315e-02 3.599548315e-02 4.84 3.748358140e-02 3.748358140e-02 4.86 3.877126160e-02 3.877126160e-02 4.88 3.987838935e-02 3.987838935e-02 4.90 4.081938280e-02 4.081938280e-02 4.92 4.160196893e-02 4.160196893e-02 4.94 4.222648759e-02 4.222648759e-02 4.96 4.269787286e-02 4.269787286e-02 4.98 4.306898620e-02 4.306898620e-02 5.00 4.337618077e-02 4.337618077e-02 5.02 4.362726221e-02 4.362726221e-02 5.04 4.380756389e-02 4.380756389e-02 5.06 4.389004828e-02 4.389004828e-02 5.08 4.383675549e-02 4.383675549e-02 5.10 4.360094582e-02 4.360094582e-02 5.12 4.313406538e-02 4.313406538e-02 5.14 4.239268515e-02 4.239268515e-02 5.16 4.134503595e-02 4.134503595e-02 5.18 3.997635430e-02 3.997635430e-02 5.20 3.829256164e-02 3.829256164e-02 5.22 3.632283245e-02 3.632283245e-02 5.24 3.412288936e-02 3.412288936e-02 5.26 3.176185453e-02 3.176185453e-02 5.28 2.931145589e-02 2.931145589e-02 5.30 2.683818886e-02 2.683818886e-02 5.32 2.439713597e-02 2.439713597e-02 5.34 2.202853813e-02 2.202853813e-02 5.36 1.975731990e-02 1.975731990e-02 5.38 1.759557599e-02 1.759557599e-02 5.40 1.554695719e-02 1.554695719e-02 5.42 1.361162295e-02 1.361162295e-02 5.44 1.179046950e-02 1.179046950e-02 5.46 1.008765285e-02 1.008765285e-02 5.48 8.511536857e-03 8.511536857e-03 5.50 7.074136947e-03 7.074136947e-03 5.52 5.789784831e-03 5.789784831e-03 5.54 4.666742969e-03 4.666742969e-03 5.56 3.696616099e-03 3.696616099e-03 5.58 2.869015180e-03 2.869015180e-03 5.60 2.173305558e-03 2.173305558e-03 5.62 1.598775859e-03 1.598775859e-03 5.64 1.134504613e-03 1.134504613e-03 5.66 7.693143293e-04 7.693143293e-04 5.68 4.918331604e-04 4.918331604e-04 5.70 2.903322383e-04 2.903322383e-04 5.72 1.529400100e-04 1.529400100e-04 5.74 6.752134645e-05 6.752134645e-05 5.76 2.184221546e-05 2.184221546e-05 5.78 3.492747677e-06 3.492747677e-06 5.80 6.241587719e-09 6.241587719e-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