# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # composition = Co2CuFe # 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 -5.207520135e+02 -5.207520135e+02 1.04 -4.919810322e+02 -4.919810322e+02 1.06 -4.648414486e+02 -4.648414486e+02 1.08 -4.395028821e+02 -4.395028821e+02 1.10 -4.154177285e+02 -4.154177285e+02 1.12 -3.918725033e+02 -3.918725033e+02 1.14 -3.687428447e+02 -3.687428447e+02 1.16 -3.461191365e+02 -3.461191365e+02 1.18 -3.245164115e+02 -3.245164115e+02 1.20 -3.047044406e+02 -3.047044406e+02 1.22 -2.868343183e+02 -2.868343183e+02 1.24 -2.705093805e+02 -2.705093805e+02 1.26 -2.555189511e+02 -2.555189511e+02 1.28 -2.419401075e+02 -2.419401075e+02 1.30 -2.295664381e+02 -2.295664381e+02 1.32 -2.179370761e+02 -2.179370761e+02 1.34 -2.066987428e+02 -2.066987428e+02 1.36 -1.959183540e+02 -1.959183540e+02 1.38 -1.858241348e+02 -1.858241348e+02 1.40 -1.763901095e+02 -1.763901095e+02 1.42 -1.672783125e+02 -1.672783125e+02 1.44 -1.581790117e+02 -1.581790117e+02 1.46 -1.489631361e+02 -1.489631361e+02 1.48 -1.396853128e+02 -1.396853128e+02 1.50 -1.305145332e+02 -1.305145332e+02 1.52 -1.215992451e+02 -1.215992451e+02 1.54 -1.129780312e+02 -1.129780312e+02 1.56 -1.045276255e+02 -1.045276255e+02 1.58 -9.603409609e+01 -9.603409609e+01 1.60 -8.734889610e+01 -8.734889610e+01 1.62 -7.853260982e+01 -7.853260982e+01 1.64 -6.983796184e+01 -6.983796184e+01 1.66 -6.153869116e+01 -6.153869116e+01 1.68 -5.377383387e+01 -5.377383387e+01 1.70 -4.654626833e+01 -4.654626833e+01 1.72 -3.984885794e+01 -3.984885794e+01 1.74 -3.369942416e+01 -3.369942416e+01 1.76 -2.810117128e+01 -2.810117128e+01 1.78 -2.299052690e+01 -2.299052690e+01 1.80 -1.826601662e+01 -1.826601662e+01 1.82 -1.389493979e+01 -1.389493979e+01 1.84 -1.003897764e+01 -1.003897764e+01 1.86 -6.884888771e+00 -6.884888771e+00 1.88 -4.638870916e+00 -4.638870916e+00 1.90 -3.109590957e+00 -3.109590957e+00 1.92 -2.099411874e+00 -2.099411874e+00 1.94 -1.462879804e+00 -1.462879804e+00 1.96 -1.109800113e+00 -1.109800113e+00 1.98 -9.783713644e-01 -9.783713644e-01 2.00 -1.016899666e+00 -1.016899666e+00 2.02 -1.177659523e+00 -1.177659523e+00 2.04 -1.419037248e+00 -1.419037248e+00 2.06 -1.705625579e+00 -1.705625579e+00 2.08 -2.008070862e+00 -2.008070862e+00 2.10 -2.302104515e+00 -2.302104515e+00 2.12 -2.570302211e+00 -2.570302211e+00 2.14 -2.804897154e+00 -2.804897154e+00 2.16 -3.006315451e+00 -3.006315451e+00 2.18 -3.178645736e+00 -3.178645736e+00 2.20 -3.324995164e+00 -3.324995164e+00 2.22 -3.447014544e+00 -3.447014544e+00 2.24 -3.547514424e+00 -3.547514424e+00 2.26 -3.631250909e+00 -3.631250909e+00 2.28 -3.703208165e+00 -3.703208165e+00 2.30 -3.767545269e+00 -3.767545269e+00 2.32 -3.825883682e+00 -3.825883682e+00 2.34 -3.878630496e+00 -3.878630496e+00 2.36 -3.925289498e+00 -3.925289498e+00 2.38 -3.965515981e+00 -3.965515981e+00 2.40 -3.999045694e+00 -3.999045694e+00 2.42 -4.025516281e+00 -4.025516281e+00 2.44 -4.045197110e+00 -4.045197110e+00 2.46 -4.058624574e+00 -4.058624574e+00 2.48 -4.065693690e+00 -4.065693690e+00 2.50 -4.065933603e+00 -4.065933603e+00 2.52 -4.058988653e+00 -4.058988653e+00 2.54 -4.045092861e+00 -4.045092861e+00 2.56 -4.024808103e+00 -4.024808103e+00 2.58 -3.998787704e+00 -3.998787704e+00 2.60 -3.967764616e+00 -3.967764616e+00 2.62 -3.932434846e+00 -3.932434846e+00 2.64 -3.893425931e+00 -3.893425931e+00 2.66 -3.851245680e+00 -3.851245680e+00 2.68 -3.806129433e+00 -3.806129433e+00 2.70 -3.758165927e+00 -3.758165927e+00 2.72 -3.707434771e+00 -3.707434771e+00 2.74 -3.654095661e+00 -3.654095661e+00 2.76 -3.598485595e+00 -3.598485595e+00 2.78 -3.541046816e+00 -3.541046816e+00 2.80 -3.482183430e+00 -3.482183430e+00 2.82 -3.422252306e+00 -3.422252306e+00 2.84 -3.361558038e+00 -3.361558038e+00 2.86 -3.300529948e+00 -3.300529948e+00 2.88 -3.239636566e+00 -3.239636566e+00 2.90 -3.179148237e+00 -3.179148237e+00 2.92 -3.119256090e+00 -3.119256090e+00 2.94 -3.060156533e+00 -3.060156533e+00 2.96 -3.001909949e+00 -3.001909949e+00 2.98 -2.944517978e+00 -2.944517978e+00 3.00 -2.886968825e+00 -2.886968825e+00 3.02 -2.826817322e+00 -2.826817322e+00 3.04 -2.761876964e+00 -2.761876964e+00 3.06 -2.690221070e+00 -2.690221070e+00 3.08 -2.610008975e+00 -2.610008975e+00 3.10 -2.519416760e+00 -2.519416760e+00 3.12 -2.416791415e+00 -2.416791415e+00 3.14 -2.300632724e+00 -2.300632724e+00 3.16 -2.169572163e+00 -2.169572163e+00 3.18 -2.022671364e+00 -2.022671364e+00 3.20 -1.859152670e+00 -1.859152670e+00 3.22 -1.679369832e+00 -1.679369832e+00 3.24 -1.488971428e+00 -1.488971428e+00 3.26 -1.295017334e+00 -1.295017334e+00 3.28 -1.103976598e+00 -1.103976598e+00 3.30 -9.212911812e-01 -9.212911812e-01 3.32 -7.508976126e-01 -7.508976126e-01 3.34 -5.949325430e-01 -5.949325430e-01 3.36 -4.539987893e-01 -4.539987893e-01 3.38 -3.275066954e-01 -3.275066954e-01 3.40 -2.140163155e-01 -2.140163155e-01 3.42 -1.118091726e-01 -1.118091726e-01 3.44 -1.934594896e-02 -1.934594896e-02 3.46 6.453218907e-02 6.453218907e-02 3.48 1.405953431e-01 1.405953431e-01 3.50 2.093223913e-01 2.093223913e-01 3.52 2.710322377e-01 2.710322377e-01 3.54 3.260013889e-01 3.260013889e-01 3.56 3.745447026e-01 3.745447026e-01 3.58 4.170052553e-01 4.170052553e-01 3.60 4.536882931e-01 4.536882931e-01 3.62 4.848911023e-01 4.848911023e-01 3.64 5.109035349e-01 5.109035349e-01 3.66 5.319938826e-01 5.319938826e-01 3.68 5.484118298e-01 5.484118298e-01 3.70 5.603910236e-01 5.603910236e-01 3.72 5.681469738e-01 5.681469738e-01 3.74 5.718749964e-01 5.718749964e-01 3.76 5.717487996e-01 5.717487996e-01 3.78 5.679190591e-01 5.679190591e-01 3.80 5.605122820e-01 5.605122820e-01 3.82 5.496300037e-01 5.496300037e-01 3.84 5.353478013e-01 5.353478013e-01 3.86 5.177240563e-01 5.177240563e-01 3.88 4.968875735e-01 4.968875735e-01 3.90 4.730419721e-01 4.730419721e-01 3.92 4.464360848e-01 4.464360848e-01 3.94 4.173243886e-01 4.173243886e-01 3.96 3.859225741e-01 3.859225741e-01 3.98 3.524602282e-01 3.524602282e-01 4.00 3.171876101e-01 3.171876101e-01 4.02 2.803761401e-01 2.803761401e-01 4.04 2.423183764e-01 2.423183764e-01 4.06 2.033273536e-01 2.033273536e-01 4.08 1.637374892e-01 1.637374892e-01 4.10 1.239032572e-01 1.239032572e-01 4.12 8.419894636e-02 8.419894636e-02 4.14 4.501772918e-02 4.501772918e-02 4.16 6.768582040e-03 6.768582040e-03 4.18 -3.012188817e-02 -3.012188817e-02 4.20 -6.521622591e-02 -6.521622591e-02 4.22 -9.808566605e-02 -9.808566605e-02 4.24 -1.282988561e-01 -1.282988561e-01 4.26 -1.554174172e-01 -1.554174172e-01 4.28 -1.790016944e-01 -1.790016944e-01 4.30 -1.986173376e-01 -1.986173376e-01 4.32 -2.137733581e-01 -2.137733581e-01 4.34 -2.233576871e-01 -2.233576871e-01 4.36 -2.269398539e-01 -2.269398539e-01 4.38 -2.247981324e-01 -2.247981324e-01 4.40 -2.174594787e-01 -2.174594787e-01 4.42 -2.053305032e-01 -2.053305032e-01 4.44 -1.884713801e-01 -1.884713801e-01 4.46 -1.665564038e-01 -1.665564038e-01 4.48 -1.390541561e-01 -1.390541561e-01 4.50 -1.056171183e-01 -1.056171183e-01 4.52 -6.663913032e-02 -6.663913032e-02 4.54 -2.376260100e-02 -2.376260100e-02 4.56 2.153006498e-02 2.153006498e-02 4.58 6.793234218e-02 6.793234218e-02 4.60 1.139910344e-01 1.139910344e-01 4.62 1.581881028e-01 1.581881028e-01 4.64 1.990205848e-01 1.990205848e-01 4.66 2.350837918e-01 2.350837918e-01 4.68 2.651549256e-01 2.651549256e-01 4.70 2.882759438e-01 2.882759438e-01 4.72 3.038082843e-01 3.038082843e-01 4.74 3.114627853e-01 3.114627853e-01 4.76 3.113033573e-01 3.113033573e-01 4.78 3.037238550e-01 3.037238550e-01 4.80 2.894089382e-01 2.894089382e-01 4.82 2.692784496e-01 2.692784496e-01 4.84 2.444102344e-01 2.444102344e-01 4.86 2.159605847e-01 2.159605847e-01 4.88 1.850875030e-01 1.850875030e-01 4.90 1.528827095e-01 1.528827095e-01 4.92 1.203165178e-01 1.203165178e-01 4.94 8.819773355e-02 8.819773355e-02 4.96 5.733398140e-02 5.733398140e-02 4.98 2.948448350e-02 2.948448350e-02 5.00 5.927793934e-03 5.927793934e-03 5.02 -1.284006702e-02 -1.284006702e-02 5.04 -2.689130601e-02 -2.689130601e-02 5.06 -3.663228791e-02 -3.663228791e-02 5.08 -4.275680961e-02 -4.275680961e-02 5.10 -4.618171405e-02 -4.618171405e-02 5.12 -4.791497055e-02 -4.791497055e-02 5.14 -4.892159347e-02 -4.892159347e-02 5.16 -4.999882872e-02 -4.999882872e-02 5.18 -5.167266502e-02 -5.167266502e-02 5.20 -5.412790760e-02 -5.412790760e-02 5.22 -5.718062354e-02 -5.718062354e-02 5.24 -6.031521655e-02 -6.031521655e-02 5.26 -6.283781216e-02 -6.283781216e-02 5.28 -6.404434486e-02 -6.404434486e-02 5.30 -6.337066946e-02 -6.337066946e-02 5.32 -6.050739177e-02 -6.050739177e-02 5.34 -5.545821854e-02 -5.545821854e-02 5.36 -4.853316190e-02 -4.853316190e-02 5.38 -4.028075664e-02 -4.028075664e-02 5.40 -3.138056447e-02 -3.138056447e-02 5.42 -2.252322842e-02 -2.252322842e-02 5.44 -1.430804212e-02 -1.430804212e-02 5.46 -7.177464042e-03 -7.177464042e-03 5.48 -1.393565308e-03 -1.393565308e-03 5.50 2.949244031e-03 2.949244031e-03 5.52 5.893416513e-03 5.893416513e-03 5.54 7.579840486e-03 7.579840486e-03 5.56 8.214559813e-03 8.214559813e-03 5.58 8.033291367e-03 8.033291367e-03 5.60 7.275656195e-03 7.275656195e-03 5.62 6.166733924e-03 6.166733924e-03 5.64 4.903451949e-03 4.903451949e-03 5.66 3.645190602e-03 3.645190602e-03 5.68 2.509292228e-03 2.509292228e-03 5.70 1.571476896e-03 1.571476896e-03 5.72 8.670127577e-04 8.670127577e-04 5.74 3.964271797e-04 3.964271797e-04 5.76 1.314435474e-04 1.314435474e-04 5.78 2.138706047e-05 2.138706047e-05 5.80 1.495183269e-07 1.495183269e-07 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