# 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 = Cr2CuNi # 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 -1.488225711e+02 -1.488225711e+02 1.04 -1.453477731e+02 -1.453477731e+02 1.06 -1.417318207e+02 -1.417318207e+02 1.08 -1.383857968e+02 -1.383857968e+02 1.10 -1.351568573e+02 -1.351568573e+02 1.12 -1.316036717e+02 -1.316036717e+02 1.14 -1.277016350e+02 -1.277016350e+02 1.16 -1.236236739e+02 -1.236236739e+02 1.18 -1.198023838e+02 -1.198023838e+02 1.20 -1.167895055e+02 -1.167895055e+02 1.22 -1.145996693e+02 -1.145996693e+02 1.24 -1.127268590e+02 -1.127268590e+02 1.26 -1.107771886e+02 -1.107771886e+02 1.28 -1.087275568e+02 -1.087275568e+02 1.30 -1.065582025e+02 -1.065582025e+02 1.32 -1.041063676e+02 -1.041063676e+02 1.34 -1.012450241e+02 -1.012450241e+02 1.36 -9.810361774e+01 -9.810361774e+01 1.38 -9.494190093e+01 -9.494190093e+01 1.40 -9.185821267e+01 -9.185821267e+01 1.42 -8.868376948e+01 -8.868376948e+01 1.44 -8.519693071e+01 -8.519693071e+01 1.46 -8.129947583e+01 -8.129947583e+01 1.48 -7.703699540e+01 -7.703699540e+01 1.50 -7.251069970e+01 -7.251069970e+01 1.52 -6.782286600e+01 -6.782286600e+01 1.54 -6.302492576e+01 -6.302492576e+01 1.56 -5.807066182e+01 -5.807066182e+01 1.58 -5.282891951e+01 -5.282891951e+01 1.60 -4.720014650e+01 -4.720014650e+01 1.62 -4.125768845e+01 -4.125768845e+01 1.64 -3.523978828e+01 -3.523978828e+01 1.66 -2.940779890e+01 -2.940779890e+01 1.68 -2.391797200e+01 -2.391797200e+01 1.70 -1.882677019e+01 -1.882677019e+01 1.72 -1.417806377e+01 -1.417806377e+01 1.74 -1.001734727e+01 -1.001734727e+01 1.76 -6.558509388e+00 -6.558509388e+00 1.78 -4.123637466e+00 -4.123637466e+00 1.80 -2.545091925e+00 -2.545091925e+00 1.82 -1.539061206e+00 -1.539061206e+00 1.84 -9.268211416e-01 -9.268211416e-01 1.86 -5.996175390e-01 -5.996175390e-01 1.88 -4.792120584e-01 -4.792120584e-01 1.90 -4.995229877e-01 -4.995229877e-01 1.92 -6.068970273e-01 -6.068970273e-01 1.94 -7.673790152e-01 -7.673790152e-01 1.96 -9.641929398e-01 -9.641929398e-01 1.98 -1.188865440e+00 -1.188865440e+00 2.00 -1.436031146e+00 -1.436031146e+00 2.02 -1.700261587e+00 -1.700261587e+00 2.04 -1.974015324e+00 -1.974015324e+00 2.06 -2.249691590e+00 -2.249691590e+00 2.08 -2.519498424e+00 -2.519498424e+00 2.10 -2.775310455e+00 -2.775310455e+00 2.12 -3.009651236e+00 -3.009651236e+00 2.14 -3.216675039e+00 -3.216675039e+00 2.16 -3.392523582e+00 -3.392523582e+00 2.18 -3.535059596e+00 -3.535059596e+00 2.20 -3.643678369e+00 -3.643678369e+00 2.22 -3.721060699e+00 -3.721060699e+00 2.24 -3.775651078e+00 -3.775651078e+00 2.26 -3.816668566e+00 -3.816668566e+00 2.28 -3.851080300e+00 -3.851080300e+00 2.30 -3.882551705e+00 -3.882551705e+00 2.32 -3.911179030e+00 -3.911179030e+00 2.34 -3.936714609e+00 -3.936714609e+00 2.36 -3.958876967e+00 -3.958876967e+00 2.38 -3.977194464e+00 -3.977194464e+00 2.40 -3.990772146e+00 -3.990772146e+00 2.42 -3.998386791e+00 -3.998386791e+00 2.44 -3.999118283e+00 -3.999118283e+00 2.46 -3.993777495e+00 -3.993777495e+00 2.48 -3.983651993e+00 -3.983651993e+00 2.50 -3.969930060e+00 -3.969930060e+00 2.52 -3.952842431e+00 -3.952842431e+00 2.54 -3.932162636e+00 -3.932162636e+00 2.56 -3.907730066e+00 -3.907730066e+00 2.58 -3.879487118e+00 -3.879487118e+00 2.60 -3.847675404e+00 -3.847675404e+00 2.62 -3.812658039e+00 -3.812658039e+00 2.64 -3.774847547e+00 -3.774847547e+00 2.66 -3.734665257e+00 -3.734665257e+00 2.68 -3.692345915e+00 -3.692345915e+00 2.70 -3.648015640e+00 -3.648015640e+00 2.72 -3.601770349e+00 -3.601770349e+00 2.74 -3.553659776e+00 -3.553659776e+00 2.76 -3.503692535e+00 -3.503692535e+00 2.78 -3.451939339e+00 -3.451939339e+00 2.80 -3.398550193e+00 -3.398550193e+00 2.82 -3.343634387e+00 -3.343634387e+00 2.84 -3.287219791e+00 -3.287219791e+00 2.86 -3.229292235e+00 -3.229292235e+00 2.88 -3.169808474e+00 -3.169808474e+00 2.90 -3.108501127e+00 -3.108501127e+00 2.92 -3.045111611e+00 -3.045111611e+00 2.94 -2.979217792e+00 -2.979217792e+00 2.96 -2.910426559e+00 -2.910426559e+00 2.98 -2.838443676e+00 -2.838443676e+00 3.00 -2.763215138e+00 -2.763215138e+00 3.02 -2.684914672e+00 -2.684914672e+00 3.04 -2.603904996e+00 -2.603904996e+00 3.06 -2.520771459e+00 -2.520771459e+00 3.08 -2.436176102e+00 -2.436176102e+00 3.10 -2.350722711e+00 -2.350722711e+00 3.12 -2.265281468e+00 -2.265281468e+00 3.14 -2.180938052e+00 -2.180938052e+00 3.16 -2.098662464e+00 -2.098662464e+00 3.18 -2.019250462e+00 -2.019250462e+00 3.20 -1.943165843e+00 -1.943165843e+00 3.22 -1.870566857e+00 -1.870566857e+00 3.24 -1.801402052e+00 -1.801402052e+00 3.26 -1.735365830e+00 -1.735365830e+00 3.28 -1.671948934e+00 -1.671948934e+00 3.30 -1.610519416e+00 -1.610519416e+00 3.32 -1.550421577e+00 -1.550421577e+00 3.34 -1.491079470e+00 -1.491079470e+00 3.36 -1.432128879e+00 -1.432128879e+00 3.38 -1.373460662e+00 -1.373460662e+00 3.40 -1.315187731e+00 -1.315187731e+00 3.42 -1.257637326e+00 -1.257637326e+00 3.44 -1.201211312e+00 -1.201211312e+00 3.46 -1.146295352e+00 -1.146295352e+00 3.48 -1.093200766e+00 -1.093200766e+00 3.50 -1.042133205e+00 -1.042133205e+00 3.52 -9.931873260e-01 -9.931873260e-01 3.54 -9.463609842e-01 -9.463609842e-01 3.56 -9.015814949e-01 -9.015814949e-01 3.58 -8.587443484e-01 -8.587443484e-01 3.60 -8.177435879e-01 -8.177435879e-01 3.62 -7.784695192e-01 -7.784695192e-01 3.64 -7.408150174e-01 -7.408150174e-01 3.66 -7.047067305e-01 -7.047067305e-01 3.68 -6.700810128e-01 -6.700810128e-01 3.70 -6.368717234e-01 -6.368717234e-01 3.72 -6.050103848e-01 -6.050103848e-01 3.74 -5.744264540e-01 -5.744264540e-01 3.76 -5.450478191e-01 -5.450478191e-01 3.78 -5.168006880e-01 -5.168006880e-01 3.80 -4.896100984e-01 -4.896100984e-01 3.82 -4.633998832e-01 -4.633998832e-01 3.84 -4.380930780e-01 -4.380930780e-01 3.86 -4.136182643e-01 -4.136182643e-01 3.88 -3.899576588e-01 -3.899576588e-01 3.90 -3.671180355e-01 -3.671180355e-01 3.92 -3.451026231e-01 -3.451026231e-01 3.94 -3.239069663e-01 -3.239069663e-01 3.96 -3.035174728e-01 -3.035174728e-01 3.98 -2.839173068e-01 -2.839173068e-01 4.00 -2.645385263e-01 -2.645385263e-01 4.02 -2.422212558e-01 -2.422212558e-01 4.04 -2.136429830e-01 -2.136429830e-01 4.06 -1.762663108e-01 -1.762663108e-01 4.08 -1.283232490e-01 -1.283232490e-01 4.10 -6.879073212e-02 -6.879073212e-02 4.12 2.640980756e-03 2.640980756e-03 4.14 8.562123826e-02 8.562123826e-02 4.16 1.791955259e-01 1.791955259e-01 4.18 2.818421605e-01 2.818421605e-01 4.20 3.915256396e-01 3.915256396e-01 4.22 5.056823261e-01 5.056823261e-01 4.24 6.213730591e-01 6.213730591e-01 4.26 7.354311884e-01 7.354311884e-01 4.28 8.445604250e-01 8.445604250e-01 4.30 9.454474221e-01 9.454474221e-01 4.32 1.034878616e+00 1.034878616e+00 4.34 1.109868905e+00 1.109868905e+00 4.36 1.167795052e+00 1.167795052e+00 4.38 1.206526982e+00 1.206526982e+00 4.40 1.224563105e+00 1.224563105e+00 4.42 1.221196997e+00 1.221196997e+00 4.44 1.196649615e+00 1.196649615e+00 4.46 1.152048363e+00 1.152048363e+00 4.48 1.089441678e+00 1.089441678e+00 4.50 1.011756691e+00 1.011756691e+00 4.52 9.227214457e-01 9.227214457e-01 4.54 8.269601269e-01 8.269601269e-01 4.56 7.294684163e-01 7.294684163e-01 4.58 6.349268713e-01 6.349268713e-01 4.60 5.473171988e-01 5.473171988e-01 4.62 4.696443303e-01 4.696443303e-01 4.64 4.037798137e-01 4.037798137e-01 4.66 3.504567318e-01 3.504567318e-01 4.68 3.094093920e-01 3.094093920e-01 4.70 2.796217161e-01 2.796217161e-01 4.72 2.596168150e-01 2.596168150e-01 4.74 2.477267559e-01 2.477267559e-01 4.76 2.422936800e-01 2.422936800e-01 4.78 2.418031811e-01 2.418031811e-01 4.80 2.449262752e-01 2.449262752e-01 4.82 2.504992124e-01 2.504992124e-01 4.84 2.575152846e-01 2.575152846e-01 4.86 2.651080198e-01 2.651080198e-01 4.88 2.725384063e-01 2.725384063e-01 4.90 2.791899606e-01 2.791899606e-01 4.92 2.845664863e-01 2.845664863e-01 4.94 2.882893906e-01 2.882893906e-01 4.96 2.900905863e-01 2.900905863e-01 4.98 2.898008868e-01 2.898008868e-01 5.00 2.873350130e-01 2.873350130e-01 5.02 2.826758286e-01 2.826758286e-01 5.04 2.758585448e-01 2.758585448e-01 5.06 2.669470598e-01 2.669470598e-01 5.08 2.560462536e-01 2.560462536e-01 5.10 2.433159236e-01 2.433159236e-01 5.12 2.289715224e-01 2.289715224e-01 5.14 2.132815360e-01 2.132815360e-01 5.16 1.965619748e-01 1.965619748e-01 5.18 1.791670369e-01 1.791670369e-01 5.20 1.614751955e-01 1.614751955e-01 5.22 1.438762601e-01 1.438762601e-01 5.24 1.267646347e-01 1.267646347e-01 5.26 1.104916610e-01 1.104916610e-01 5.28 9.533606624e-02 9.533606624e-02 5.30 8.149084699e-02 8.149084699e-02 5.32 6.905791759e-02 6.905791759e-02 5.34 5.805341424e-02 5.805341424e-02 5.36 4.842208798e-02 4.842208798e-02 5.38 4.005929000e-02 4.005929000e-02 5.40 3.283548053e-02 3.283548053e-02 5.42 2.661864017e-02 2.661864017e-02 5.44 2.129029074e-02 2.129029074e-02 5.46 1.675274757e-02 1.675274757e-02 5.48 1.292879053e-02 1.292879053e-02 5.50 9.755844320e-03 9.755844320e-03 5.52 7.178922573e-03 7.178922573e-03 5.54 5.140072260e-03 5.140072260e-03 5.56 3.569243393e-03 3.569243393e-03 5.58 2.394259308e-03 2.394259308e-03 5.60 1.543979972e-03 1.543979972e-03 5.62 9.512821006e-04 9.512821006e-04 5.64 5.554719409e-04 5.554719409e-04 5.66 3.040683836e-04 3.040683836e-04 5.68 1.537190615e-04 1.537190615e-04 5.70 7.026111134e-05 7.026111134e-05 5.72 2.811006790e-05 2.811006790e-05 5.74 9.308585540e-06 9.308585540e-06 5.76 2.285293138e-06 2.285293138e-06 5.78 2.971024516e-07 2.971024516e-07 5.80 5.894626657e-10 5.894626657e-10 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