# 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 = AlCrFe2 # 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 -5.520564287e+02 -5.520564287e+02 1.04 -5.203833197e+02 -5.203833197e+02 1.06 -4.913243672e+02 -4.913243672e+02 1.08 -4.642329642e+02 -4.642329642e+02 1.10 -4.386844857e+02 -4.386844857e+02 1.12 -4.147028417e+02 -4.147028417e+02 1.14 -3.924081872e+02 -3.924081872e+02 1.16 -3.717143490e+02 -3.717143490e+02 1.18 -3.522405709e+02 -3.522405709e+02 1.20 -3.335291106e+02 -3.335291106e+02 1.22 -3.154456914e+02 -3.154456914e+02 1.24 -2.982608140e+02 -2.982608140e+02 1.26 -2.823767001e+02 -2.823767001e+02 1.28 -2.679517177e+02 -2.679517177e+02 1.30 -2.547904146e+02 -2.547904146e+02 1.32 -2.425749351e+02 -2.425749351e+02 1.34 -2.309985973e+02 -2.309985973e+02 1.36 -2.197635414e+02 -2.197635414e+02 1.38 -2.086230321e+02 -2.086230321e+02 1.40 -1.974827727e+02 -1.974827727e+02 1.42 -1.863869913e+02 -1.863869913e+02 1.44 -1.754099571e+02 -1.754099571e+02 1.46 -1.645336853e+02 -1.645336853e+02 1.48 -1.537195370e+02 -1.537195370e+02 1.50 -1.430407385e+02 -1.430407385e+02 1.52 -1.326072683e+02 -1.326072683e+02 1.54 -1.225150106e+02 -1.225150106e+02 1.56 -1.128882252e+02 -1.128882252e+02 1.58 -1.039006553e+02 -1.039006553e+02 1.60 -9.566420554e+01 -9.566420554e+01 1.62 -8.813464809e+01 -8.813464809e+01 1.64 -8.121335724e+01 -8.121335724e+01 1.66 -7.483820323e+01 -7.483820323e+01 1.68 -6.897755960e+01 -6.897755960e+01 1.70 -6.358447509e+01 -6.358447509e+01 1.72 -5.857713318e+01 -5.857713318e+01 1.74 -5.385748345e+01 -5.385748345e+01 1.76 -4.935888430e+01 -4.935888430e+01 1.78 -4.504410198e+01 -4.504410198e+01 1.80 -4.089043071e+01 -4.089043071e+01 1.82 -3.687589427e+01 -3.687589427e+01 1.84 -3.297651794e+01 -3.297651794e+01 1.86 -2.918047236e+01 -2.918047236e+01 1.88 -2.550108059e+01 -2.550108059e+01 1.90 -2.197227330e+01 -2.197227330e+01 1.92 -1.863904154e+01 -1.863904154e+01 1.94 -1.553205950e+01 -1.553205950e+01 1.96 -1.264423075e+01 -1.264423075e+01 1.98 -1.015220916e+01 -1.015220916e+01 2.00 -8.092072765e+00 -8.092072765e+00 2.02 -6.461936154e+00 -6.461936154e+00 2.04 -5.208850622e+00 -5.208850622e+00 2.06 -4.294210315e+00 -4.294210315e+00 2.08 -3.672223689e+00 -3.672223689e+00 2.10 -3.290603959e+00 -3.290603959e+00 2.12 -3.094000779e+00 -3.094000779e+00 2.14 -3.029311047e+00 -3.029311047e+00 2.16 -3.051199533e+00 -3.051199533e+00 2.18 -3.124564544e+00 -3.124564544e+00 2.20 -3.223822683e+00 -3.223822683e+00 2.22 -3.331718936e+00 -3.331718936e+00 2.24 -3.439949343e+00 -3.439949343e+00 2.26 -3.546533260e+00 -3.546533260e+00 2.28 -3.650446203e+00 -3.650446203e+00 2.30 -3.750265758e+00 -3.750265758e+00 2.32 -3.842572930e+00 -3.842572930e+00 2.34 -3.923777682e+00 -3.923777682e+00 2.36 -3.991478813e+00 -3.991478813e+00 2.38 -4.044509185e+00 -4.044509185e+00 2.40 -4.083113852e+00 -4.083113852e+00 2.42 -4.108972945e+00 -4.108972945e+00 2.44 -4.124441964e+00 -4.124441964e+00 2.46 -4.131870038e+00 -4.131870038e+00 2.48 -4.133541394e+00 -4.133541394e+00 2.50 -4.131548843e+00 -4.131548843e+00 2.52 -4.126588779e+00 -4.126588779e+00 2.54 -4.118491114e+00 -4.118491114e+00 2.56 -4.107014752e+00 -4.107014752e+00 2.58 -4.092167113e+00 -4.092167113e+00 2.60 -4.074063239e+00 -4.074063239e+00 2.62 -4.052662746e+00 -4.052662746e+00 2.64 -4.027776681e+00 -4.027776681e+00 2.66 -3.999221871e+00 -3.999221871e+00 2.68 -3.967165949e+00 -3.967165949e+00 2.70 -3.931899950e+00 -3.931899950e+00 2.72 -3.893640458e+00 -3.893640458e+00 2.74 -3.852395314e+00 -3.852395314e+00 2.76 -3.807836637e+00 -3.807836637e+00 2.78 -3.759491869e+00 -3.759491869e+00 2.80 -3.706760175e+00 -3.706760175e+00 2.82 -3.649078737e+00 -3.649078737e+00 2.84 -3.586187690e+00 -3.586187690e+00 2.86 -3.518427970e+00 -3.518427970e+00 2.88 -3.446819859e+00 -3.446819859e+00 2.90 -3.372905788e+00 -3.372905788e+00 2.92 -3.298281740e+00 -3.298281740e+00 2.94 -3.224556705e+00 -3.224556705e+00 2.96 -3.153185187e+00 -3.153185187e+00 2.98 -3.085303152e+00 -3.085303152e+00 3.00 -3.021734006e+00 -3.021734006e+00 3.02 -2.963046516e+00 -2.963046516e+00 3.04 -2.909639663e+00 -2.909639663e+00 3.06 -2.861965904e+00 -2.861965904e+00 3.08 -2.820456210e+00 -2.820456210e+00 3.10 -2.785371285e+00 -2.785371285e+00 3.12 -2.756122918e+00 -2.756122918e+00 3.14 -2.726856849e+00 -2.726856849e+00 3.16 -2.689913830e+00 -2.689913830e+00 3.18 -2.638076585e+00 -2.638076585e+00 3.20 -2.564687024e+00 -2.564687024e+00 3.22 -2.463800099e+00 -2.463800099e+00 3.24 -2.330713766e+00 -2.330713766e+00 3.26 -2.162687995e+00 -2.162687995e+00 3.28 -1.959628237e+00 -1.959628237e+00 3.30 -1.724516605e+00 -1.724516605e+00 3.32 -1.463329751e+00 -1.463329751e+00 3.34 -1.186243869e+00 -1.186243869e+00 3.36 -9.078510584e-01 -9.078510584e-01 3.38 -6.382228087e-01 -6.382228087e-01 3.40 -3.822614918e-01 -3.822614918e-01 3.42 -1.411228641e-01 -1.411228641e-01 3.44 8.614355721e-02 8.614355721e-02 3.46 3.012684841e-01 3.012684841e-01 3.48 5.059111563e-01 5.059111563e-01 3.50 7.012506023e-01 7.012506023e-01 3.52 8.878192508e-01 8.878192508e-01 3.54 1.065380198e+00 1.065380198e+00 3.56 1.233403149e+00 1.233403149e+00 3.58 1.391460209e+00 1.391460209e+00 3.60 1.539389707e+00 1.539389707e+00 3.62 1.677126990e+00 1.677126990e+00 3.64 1.804672363e+00 1.804672363e+00 3.66 1.922075001e+00 1.922075001e+00 3.68 2.029419513e+00 2.029419513e+00 3.70 2.126816091e+00 2.126816091e+00 3.72 2.214406587e+00 2.214406587e+00 3.74 2.292353577e+00 2.292353577e+00 3.76 2.360813403e+00 2.360813403e+00 3.78 2.419927563e+00 2.419927563e+00 3.80 2.469815130e+00 2.469815130e+00 3.82 2.510638281e+00 2.510638281e+00 3.84 2.543109099e+00 2.543109099e+00 3.86 2.567761672e+00 2.567761672e+00 3.88 2.584615423e+00 2.584615423e+00 3.90 2.593370351e+00 2.593370351e+00 3.92 2.593395787e+00 2.593395787e+00 3.94 2.584093261e+00 2.584093261e+00 3.96 2.565117786e+00 2.565117786e+00 3.98 2.536337141e+00 2.536337141e+00 4.00 2.497796706e+00 2.497796706e+00 4.02 2.449690035e+00 2.449690035e+00 4.04 2.392329567e+00 2.392329567e+00 4.06 2.326122498e+00 2.326122498e+00 4.08 2.251546347e+00 2.251546347e+00 4.10 2.169129085e+00 2.169129085e+00 4.12 2.079436918e+00 2.079436918e+00 4.14 1.983054241e+00 1.983054241e+00 4.16 1.880570100e+00 1.880570100e+00 4.18 1.772584867e+00 1.772584867e+00 4.20 1.659707505e+00 1.659707505e+00 4.22 1.542558209e+00 1.542558209e+00 4.24 1.421767130e+00 1.421767130e+00 4.26 1.297976790e+00 1.297976790e+00 4.28 1.171764613e+00 1.171764613e+00 4.30 1.043296004e+00 1.043296004e+00 4.32 9.125039264e-01 9.125039264e-01 4.34 7.792256880e-01 7.792256880e-01 4.36 6.432317383e-01 6.432317383e-01 4.38 5.043552750e-01 5.043552750e-01 4.40 3.624438854e-01 3.624438854e-01 4.42 2.173346226e-01 2.173346226e-01 4.44 6.888392911e-02 6.888392911e-02 4.46 -7.895575001e-02 -7.895575001e-02 4.48 -1.977038873e-01 -1.977038873e-01 4.50 -2.521911592e-01 -2.521911592e-01 4.52 -2.095643712e-01 -2.095643712e-01 4.54 -4.084416662e-02 -4.084416662e-02 4.56 2.763247958e-01 2.763247958e-01 4.58 7.544443375e-01 7.544443375e-01 4.60 1.392612495e+00 1.392612495e+00 4.62 2.173451732e+00 2.173451732e+00 4.64 3.061598277e+00 3.061598277e+00 4.66 4.004875248e+00 4.004875248e+00 4.68 4.938868492e+00 4.938868492e+00 4.70 5.794785221e+00 5.794785221e+00 4.72 6.509176504e+00 6.509176504e+00 4.74 7.033360269e+00 7.033360269e+00 4.76 7.340027811e+00 7.340027811e+00 4.78 7.425433275e+00 7.425433275e+00 4.80 7.306958024e+00 7.306958024e+00 4.82 7.017289265e+00 7.017289265e+00 4.84 6.597169187e+00 6.597169187e+00 4.86 6.088561546e+00 6.088561546e+00 4.88 5.529636994e+00 5.529636994e+00 4.90 4.951853101e+00 4.951853101e+00 4.92 4.378992052e+00 4.378992052e+00 4.94 3.827559952e+00 3.827559952e+00 4.96 3.307971182e+00 3.307971182e+00 4.98 2.825976252e+00 2.825976252e+00 5.00 2.384084931e+00 2.384084931e+00 5.02 1.982404259e+00 1.982404259e+00 5.04 1.618825553e+00 1.618825553e+00 5.06 1.291733728e+00 1.291733728e+00 5.08 9.999778409e-01 9.999778409e-01 5.10 7.423454198e-01 7.423454198e-01 5.12 5.175477463e-01 5.175477463e-01 5.14 3.242060460e-01 3.242060460e-01 5.16 1.608385617e-01 1.608385617e-01 5.18 2.583973500e-02 2.583973500e-02 5.20 -8.254257782e-02 -8.254257782e-02 5.22 -1.662415746e-01 -1.662415746e-01 5.24 -2.274152106e-01 -2.274152106e-01 5.26 -2.683582680e-01 -2.683582680e-01 5.28 -2.914873042e-01 -2.914873042e-01 5.30 -2.993387936e-01 -2.993387936e-01 5.32 -2.945447375e-01 -2.945447375e-01 5.34 -2.797789706e-01 -2.797789706e-01 5.36 -2.576789800e-01 -2.576789800e-01 5.38 -2.307505127e-01 -2.307505127e-01 5.40 -2.012680574e-01 -2.012680574e-01 5.42 -1.711865317e-01 -1.711865317e-01 5.44 -1.420783059e-01 -1.420783059e-01 5.46 -1.151060135e-01 -1.151060135e-01 5.48 -9.103112699e-02 -9.103112699e-02 5.50 -7.025513464e-02 -7.025513464e-02 5.52 -5.288213980e-02 -5.288213980e-02 5.54 -3.878568130e-02 -3.878568130e-02 5.56 -2.767541499e-02 -2.767541499e-02 5.58 -1.917191189e-02 -1.917191189e-02 5.60 -1.285659867e-02 -1.285659867e-02 5.62 -8.313772879e-03 -8.313772879e-03 5.64 -5.156722864e-03 -5.156722864e-03 5.66 -3.045212044e-03 -3.045212044e-03 5.68 -1.693703451e-03 -1.693703451e-03 5.70 -8.723612164e-04 -8.723612164e-04 5.72 -4.040492248e-04 -4.040492248e-04 5.74 -1.591242955e-04 -1.591242955e-04 5.76 -4.701287816e-05 -4.701287816e-05 5.78 -7.117462943e-06 -7.117462943e-06 5.80 -1.951172190e-08 -1.951172190e-08 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