# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoCr2Fe # 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 -2.768155928e+02 -2.768155928e+02 1.04 -2.654161435e+02 -2.654161435e+02 1.06 -2.549216916e+02 -2.549216916e+02 1.08 -2.452686403e+02 -2.452686403e+02 1.10 -2.361387602e+02 -2.361387602e+02 1.12 -2.272769694e+02 -2.272769694e+02 1.14 -2.185867108e+02 -2.185867108e+02 1.16 -2.099845215e+02 -2.099845215e+02 1.18 -2.014758935e+02 -2.014758935e+02 1.20 -1.931702252e+02 -1.931702252e+02 1.22 -1.852148257e+02 -1.852148257e+02 1.24 -1.777826171e+02 -1.777826171e+02 1.26 -1.709824468e+02 -1.709824468e+02 1.28 -1.648103915e+02 -1.648103915e+02 1.30 -1.590899568e+02 -1.590899568e+02 1.32 -1.536299140e+02 -1.536299140e+02 1.34 -1.482847342e+02 -1.482847342e+02 1.36 -1.429608034e+02 -1.429608034e+02 1.38 -1.375987028e+02 -1.375987028e+02 1.40 -1.321443825e+02 -1.321443825e+02 1.42 -1.265310265e+02 -1.265310265e+02 1.44 -1.207135818e+02 -1.207135818e+02 1.46 -1.146665266e+02 -1.146665266e+02 1.48 -1.083882735e+02 -1.083882735e+02 1.50 -1.019210209e+02 -1.019210209e+02 1.52 -9.532213480e+01 -9.532213480e+01 1.54 -8.863965583e+01 -8.863965583e+01 1.56 -8.192027715e+01 -8.192027715e+01 1.58 -7.522496464e+01 -7.522496464e+01 1.60 -6.862178021e+01 -6.862178021e+01 1.62 -6.217064433e+01 -6.217064433e+01 1.64 -5.593595507e+01 -5.593595507e+01 1.66 -4.998543165e+01 -4.998543165e+01 1.68 -4.435467501e+01 -4.435467501e+01 1.70 -3.903015600e+01 -3.903015600e+01 1.72 -3.398995131e+01 -3.398995131e+01 1.74 -2.921746178e+01 -2.921746178e+01 1.76 -2.470907525e+01 -2.470907525e+01 1.78 -2.045706411e+01 -2.045706411e+01 1.80 -1.644887770e+01 -1.644887770e+01 1.82 -1.273294266e+01 -1.273294266e+01 1.84 -9.478719471e+00 -9.478719471e+00 1.86 -6.883680248e+00 -6.883680248e+00 1.88 -5.020256803e+00 -5.020256803e+00 1.90 -3.722261619e+00 -3.722261619e+00 1.92 -2.848887261e+00 -2.848887261e+00 1.94 -2.291441420e+00 -2.291441420e+00 1.96 -1.969048643e+00 -1.969048643e+00 1.98 -1.819018419e+00 -1.819018419e+00 2.00 -1.795127346e+00 -1.795127346e+00 2.02 -1.862068668e+00 -1.862068668e+00 2.04 -1.990735038e+00 -1.990735038e+00 2.06 -2.158295183e+00 -2.158295183e+00 2.08 -2.347030776e+00 -2.347030776e+00 2.10 -2.544270652e+00 -2.544270652e+00 2.12 -2.744300134e+00 -2.744300134e+00 2.14 -2.942247301e+00 -2.942247301e+00 2.16 -3.132309343e+00 -3.132309343e+00 2.18 -3.308976316e+00 -3.308976316e+00 2.20 -3.466544032e+00 -3.466544032e+00 2.22 -3.602614189e+00 -3.602614189e+00 2.24 -3.719809151e+00 -3.719809151e+00 2.26 -3.820317817e+00 -3.820317817e+00 2.28 -3.906093917e+00 -3.906093917e+00 2.30 -3.979213558e+00 -3.979213558e+00 2.32 -4.040895642e+00 -4.040895642e+00 2.34 -4.091612899e+00 -4.091612899e+00 2.36 -4.132103458e+00 -4.132103458e+00 2.38 -4.163341011e+00 -4.163341011e+00 2.40 -4.186191672e+00 -4.186191672e+00 2.42 -4.201391850e+00 -4.201391850e+00 2.44 -4.209700639e+00 -4.209700639e+00 2.46 -4.211491147e+00 -4.211491147e+00 2.48 -4.206937463e+00 -4.206937463e+00 2.50 -4.196881851e+00 -4.196881851e+00 2.52 -4.181817980e+00 -4.181817980e+00 2.54 -4.161527099e+00 -4.161527099e+00 2.56 -4.135908199e+00 -4.135908199e+00 2.58 -4.104985935e+00 -4.104985935e+00 2.60 -4.068993501e+00 -4.068993501e+00 2.62 -4.028235319e+00 -4.028235319e+00 2.64 -3.983033510e+00 -3.983033510e+00 2.66 -3.933738520e+00 -3.933738520e+00 2.68 -3.880601077e+00 -3.880601077e+00 2.70 -3.823859861e+00 -3.823859861e+00 2.72 -3.763815408e+00 -3.763815408e+00 2.74 -3.700815028e+00 -3.700815028e+00 2.76 -3.635251289e+00 -3.635251289e+00 2.78 -3.567623436e+00 -3.567623436e+00 2.80 -3.498527857e+00 -3.498527857e+00 2.82 -3.428579988e+00 -3.428579988e+00 2.84 -3.358357488e+00 -3.358357488e+00 2.86 -3.288410210e+00 -3.288410210e+00 2.88 -3.219220051e+00 -3.219220051e+00 2.90 -3.151031744e+00 -3.151031744e+00 2.92 -3.083977554e+00 -3.083977554e+00 2.94 -3.018162529e+00 -3.018162529e+00 2.96 -2.953684802e+00 -2.953684802e+00 2.98 -2.890615500e+00 -2.890615500e+00 3.00 -2.828872561e+00 -2.828872561e+00 3.02 -2.766647149e+00 -2.766647149e+00 3.04 -2.701185249e+00 -2.701185249e+00 3.06 -2.629879102e+00 -2.629879102e+00 3.08 -2.550170680e+00 -2.550170680e+00 3.10 -2.459543562e+00 -2.459543562e+00 3.12 -2.355804526e+00 -2.355804526e+00 3.14 -2.237062172e+00 -2.237062172e+00 3.16 -2.101440737e+00 -2.101440737e+00 3.18 -1.947291265e+00 -1.947291265e+00 3.20 -1.773212053e+00 -1.773212053e+00 3.22 -1.578553154e+00 -1.578553154e+00 3.24 -1.367855269e+00 -1.367855269e+00 3.26 -1.149730075e+00 -1.149730075e+00 3.28 -9.325314832e-01 -9.325314832e-01 3.30 -7.235883304e-01 -7.235883304e-01 3.32 -5.285040473e-01 -5.285040473e-01 3.34 -3.506637237e-01 -3.506637237e-01 3.36 -1.912804282e-01 -1.912804282e-01 3.38 -4.976694645e-02 -4.976694645e-02 3.40 7.567156459e-02 7.567156459e-02 3.42 1.872636760e-01 1.872636760e-01 3.44 2.871335952e-01 2.871335952e-01 3.46 3.769972450e-01 3.769972450e-01 3.48 4.580807462e-01 4.580807462e-01 3.50 5.311864028e-01 5.311864028e-01 3.52 5.968240349e-01 5.968240349e-01 3.54 6.553492508e-01 6.553492508e-01 3.56 7.070751918e-01 7.070751918e-01 3.58 7.523495131e-01 7.523495131e-01 3.60 7.915506691e-01 7.915506691e-01 3.62 8.250411535e-01 8.250411535e-01 3.64 8.531602345e-01 8.531602345e-01 3.66 8.762098230e-01 8.762098230e-01 3.68 8.944555936e-01 8.944555936e-01 3.70 9.081306844e-01 9.081306844e-01 3.72 9.174335418e-01 9.174335418e-01 3.74 9.225262160e-01 9.225262160e-01 3.76 9.235328017e-01 9.235328017e-01 3.78 9.205379876e-01 9.205379876e-01 3.80 9.135854801e-01 9.135854801e-01 3.82 9.026760637e-01 9.026760637e-01 3.84 8.877660178e-01 8.877660178e-01 3.86 8.687730648e-01 8.687730648e-01 3.88 8.456489471e-01 8.456489471e-01 3.90 8.183755375e-01 8.183755375e-01 3.92 7.869368369e-01 7.869368369e-01 3.94 7.513451352e-01 7.513451352e-01 3.96 7.116741315e-01 7.116741315e-01 3.98 6.680279896e-01 6.680279896e-01 4.00 6.205388279e-01 6.205388279e-01 4.02 5.693679731e-01 5.693679731e-01 4.04 5.147073841e-01 5.147073841e-01 4.06 4.567807682e-01 4.567807682e-01 4.08 3.958446637e-01 3.958446637e-01 4.10 3.321888574e-01 3.321888574e-01 4.12 2.661379501e-01 2.661379501e-01 4.14 1.980531396e-01 1.980531396e-01 4.16 1.283348394e-01 1.283348394e-01 4.18 5.741866332e-02 5.741866332e-02 4.20 -1.423188584e-02 -1.423188584e-02 4.22 -8.616890854e-02 -8.616890854e-02 4.24 -1.537999914e-01 -1.537999914e-01 4.26 -1.999869950e-01 -1.999869950e-01 4.28 -2.095755360e-01 -2.095755360e-01 4.30 -1.725817356e-01 -1.725817356e-01 4.32 -8.404654578e-02 -8.404654578e-02 4.34 5.624681617e-02 5.624681617e-02 4.36 2.441959718e-01 2.441959718e-01 4.38 4.719380410e-01 4.719380410e-01 4.40 7.285476823e-01 7.285476823e-01 4.42 1.000858520e+00 1.000858520e+00 4.44 1.274388902e+00 1.274388902e+00 4.46 1.534348461e+00 1.534348461e+00 4.48 1.766670966e+00 1.766670966e+00 4.50 1.959012782e+00 1.959012782e+00 4.52 2.101864265e+00 2.101864265e+00 4.54 2.190997061e+00 2.190997061e+00 4.56 2.227232872e+00 2.227232872e+00 4.58 2.214987010e+00 2.214987010e+00 4.60 2.161460345e+00 2.161460345e+00 4.62 2.075722811e+00 2.075722811e+00 4.64 1.967675232e+00 1.967675232e+00 4.66 1.847061502e+00 1.847061502e+00 4.68 1.722589191e+00 1.722589191e+00 4.70 1.601289131e+00 1.601289131e+00 4.72 1.488125628e+00 1.488125628e+00 4.74 1.385901350e+00 1.385901350e+00 4.76 1.295392184e+00 1.295392184e+00 4.78 1.215690396e+00 1.215690396e+00 4.80 1.144678366e+00 1.144678366e+00 4.82 1.079540246e+00 1.079540246e+00 4.84 1.017288875e+00 1.017288875e+00 4.86 9.552106304e-01 9.552106304e-01 4.88 8.911920394e-01 8.911920394e-01 4.90 8.239155622e-01 8.239155622e-01 4.92 7.529104038e-01 7.529104038e-01 4.94 6.784839128e-01 6.784839128e-01 4.96 6.015803731e-01 6.015803731e-01 4.98 5.235737751e-01 5.235737751e-01 5.00 4.460558684e-01 4.460558684e-01 5.02 3.706395923e-01 3.706395923e-01 5.04 2.987695127e-01 2.987695127e-01 5.06 2.313918506e-01 2.313918506e-01 5.08 1.691483164e-01 1.691483164e-01 5.10 1.125688477e-01 1.125688477e-01 5.12 6.206723892e-02 6.206723892e-02 5.14 1.793558511e-02 1.793558511e-02 5.16 -1.965940531e-02 -1.965940531e-02 5.18 -5.068329684e-02 -5.068329684e-02 5.20 -7.523735133e-02 -7.523735133e-02 5.22 -9.356784758e-02 -9.356784758e-02 5.24 -1.060721567e-01 -1.060721567e-01 5.26 -1.132385098e-01 -1.132385098e-01 5.28 -1.156326129e-01 -1.156326129e-01 5.30 -1.138960103e-01 -1.138960103e-01 5.32 -1.087360707e-01 -1.087360707e-01 5.34 -1.009057517e-01 -1.009057517e-01 5.36 -9.117406327e-02 -9.117406327e-02 5.38 -8.029015561e-02 -8.029015561e-02 5.40 -6.894533566e-02 -6.894533566e-02 5.42 -5.773821480e-02 -5.773821480e-02 5.44 -4.714951026e-02 -4.714951026e-02 5.46 -3.752804955e-02 -3.752804955e-02 5.48 -2.909123448e-02 -2.909123448e-02 5.50 -2.193584921e-02 -2.193584921e-02 5.52 -1.605831259e-02 -1.605831259e-02 5.54 -1.138159461e-02 -1.138159461e-02 5.56 -7.782222691e-03 -7.782222691e-03 5.58 -5.109025558e-03 -5.109025558e-03 5.60 -3.198968261e-03 -3.198968261e-03 5.62 -1.892822921e-03 -1.892822921e-03 5.64 -1.044406565e-03 -1.044406565e-03 5.66 -5.266198975e-04 -5.266198975e-04 5.68 -2.348982493e-04 -2.348982493e-04 5.70 -8.746842968e-05 -8.746842968e-05 5.72 -2.381371210e-05 -2.381371210e-05 5.74 -2.688266992e-06 -2.688266992e-06 5.76 8.799482341e-07 8.799482341e-07 5.78 3.092773106e-07 3.092773106e-07 5.80 -3.995261343e-09 -3.995261343e-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