# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn # implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1 # composition = Fe2MnNi # 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 2024-11-27 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 3.425823561e+04 3.425823561e+04 1.02 3.134797268e+04 3.134797268e+04 1.04 2.868393836e+04 2.868393836e+04 1.06 2.624345222e+04 2.624345222e+04 1.08 2.400432800e+04 2.400432800e+04 1.10 2.194509495e+04 2.194509495e+04 1.12 2.005766871e+04 2.005766871e+04 1.14 1.832687258e+04 1.832687258e+04 1.16 1.673139194e+04 1.673139194e+04 1.18 1.525911439e+04 1.525911439e+04 1.20 1.390055444e+04 1.390055444e+04 1.22 1.264362730e+04 1.264362730e+04 1.24 1.147836848e+04 1.147836848e+04 1.26 1.039660793e+04 1.039660793e+04 1.28 9.390926808e+03 9.390926808e+03 1.30 8.454488721e+03 8.454488721e+03 1.32 7.580921926e+03 7.580921926e+03 1.34 6.766531824e+03 6.766531824e+03 1.36 6.011188300e+03 6.011188300e+03 1.38 5.313068942e+03 5.313068942e+03 1.40 4.664664749e+03 4.664664749e+03 1.42 4.058359190e+03 4.058359190e+03 1.44 3.489659093e+03 3.489659093e+03 1.46 2.956395593e+03 2.956395593e+03 1.48 2.459032292e+03 2.459032292e+03 1.50 1.998814324e+03 1.998814324e+03 1.52 1.584651366e+03 1.584651366e+03 1.54 1.252192635e+03 1.252192635e+03 1.56 9.896545541e+02 9.896545541e+02 1.58 7.825888929e+02 7.825888929e+02 1.60 6.190270378e+02 6.190270378e+02 1.62 4.896974116e+02 4.896974116e+02 1.64 3.873951716e+02 3.873951716e+02 1.66 3.065734934e+02 3.065734934e+02 1.68 2.427718791e+02 2.427718791e+02 1.70 1.922983653e+02 1.922983653e+02 1.72 1.522276353e+02 1.522276353e+02 1.74 1.203326331e+02 1.203326331e+02 1.76 9.491504077e+01 9.491504077e+01 1.78 7.465403451e+01 7.465403451e+01 1.80 5.850914016e+01 5.850914016e+01 1.82 4.565623865e+01 4.565623865e+01 1.84 3.543155748e+01 3.543155748e+01 1.86 2.730363182e+01 2.730363182e+01 1.88 2.085618584e+01 2.085618584e+01 1.90 1.576230495e+01 1.576230495e+01 1.92 1.175563611e+01 1.175563611e+01 1.94 8.607605604e+00 8.607605604e+00 1.96 6.124450629e+00 6.124450629e+00 1.98 4.151752469e+00 4.151752469e+00 2.00 2.570762639e+00 2.570762639e+00 2.02 1.292097497e+00 1.292097497e+00 2.04 2.519661225e-01 2.519661225e-01 2.06 -5.984724081e-01 -5.984724081e-01 2.08 -1.297391533e+00 -1.297391533e+00 2.10 -1.874376602e+00 -1.874376602e+00 2.12 -2.351040185e+00 -2.351040185e+00 2.14 -2.743092325e+00 -2.743092325e+00 2.16 -3.062236035e+00 -3.062236035e+00 2.18 -3.317565945e+00 -3.317565945e+00 2.20 -3.517635986e+00 -3.517635986e+00 2.22 -3.669708567e+00 -3.669708567e+00 2.24 -3.779698268e+00 -3.779698268e+00 2.26 -3.853528205e+00 -3.853528205e+00 2.28 -3.896945210e+00 -3.896945210e+00 2.30 -3.916453392e+00 -3.916453392e+00 2.32 -3.920019343e+00 -3.920019343e+00 2.34 -3.916532933e+00 -3.916532933e+00 2.36 -3.913132494e+00 -3.913132494e+00 2.38 -3.912110021e+00 -3.912110021e+00 2.40 -3.911858534e+00 -3.911858534e+00 2.42 -3.909703196e+00 -3.909703196e+00 2.44 -3.903707955e+00 -3.903707955e+00 2.46 -3.892926003e+00 -3.892926003e+00 2.48 -3.877355961e+00 -3.877355961e+00 2.50 -3.857355690e+00 -3.857355690e+00 2.52 -3.833270208e+00 -3.833270208e+00 2.54 -3.805431554e+00 -3.805431554e+00 2.56 -3.774166200e+00 -3.774166200e+00 2.58 -3.739800678e+00 -3.739800678e+00 2.60 -3.702662857e+00 -3.702662857e+00 2.62 -3.663059848e+00 -3.663059848e+00 2.64 -3.621292671e+00 -3.621292671e+00 2.66 -3.577673417e+00 -3.577673417e+00 2.68 -3.532496974e+00 -3.532496974e+00 2.70 -3.485964177e+00 -3.485964177e+00 2.72 -3.438346722e+00 -3.438346722e+00 2.74 -3.389867678e+00 -3.389867678e+00 2.76 -3.340577375e+00 -3.340577375e+00 2.78 -3.290516252e+00 -3.290516252e+00 2.80 -3.239735013e+00 -3.239735013e+00 2.82 -3.188295880e+00 -3.188295880e+00 2.84 -3.136273636e+00 -3.136273636e+00 2.86 -3.083756621e+00 -3.083756621e+00 2.88 -3.030840962e+00 -3.030840962e+00 2.90 -2.977624976e+00 -2.977624976e+00 2.92 -2.924208667e+00 -2.924208667e+00 2.94 -2.870695328e+00 -2.870695328e+00 2.96 -2.817173141e+00 -2.817173141e+00 2.98 -2.763590815e+00 -2.763590815e+00 3.00 -2.709924985e+00 -2.709924985e+00 3.02 -2.656237084e+00 -2.656237084e+00 3.04 -2.602586451e+00 -2.602586451e+00 3.06 -2.549021939e+00 -2.549021939e+00 3.08 -2.495571731e+00 -2.495571731e+00 3.10 -2.442143972e+00 -2.442143972e+00 3.12 -2.388501874e+00 -2.388501874e+00 3.14 -2.334370669e+00 -2.334370669e+00 3.16 -2.279447373e+00 -2.279447373e+00 3.18 -2.223415935e+00 -2.223415935e+00 3.20 -2.165985120e+00 -2.165985120e+00 3.22 -2.106969866e+00 -2.106969866e+00 3.24 -2.046470516e+00 -2.046470516e+00 3.26 -1.984999610e+00 -1.984999610e+00 3.28 -1.923528505e+00 -1.923528505e+00 3.30 -1.863384799e+00 -1.863384799e+00 3.32 -1.805863000e+00 -1.805863000e+00 3.34 -1.751843217e+00 -1.751843217e+00 3.36 -1.701456221e+00 -1.701456221e+00 3.38 -1.654091353e+00 -1.654091353e+00 3.40 -1.608716625e+00 -1.608716625e+00 3.42 -1.564250747e+00 -1.564250747e+00 3.44 -1.519812465e+00 -1.519812465e+00 3.46 -1.474939403e+00 -1.474939403e+00 3.48 -1.429550644e+00 -1.429550644e+00 3.50 -1.383715364e+00 -1.383715364e+00 3.52 -1.337509128e+00 -1.337509128e+00 3.54 -1.290993536e+00 -1.290993536e+00 3.56 -1.244212297e+00 -1.244212297e+00 3.58 -1.197186509e+00 -1.197186509e+00 3.60 -1.149912176e+00 -1.149912176e+00 3.62 -1.102398081e+00 -1.102398081e+00 3.64 -1.054647367e+00 -1.054647367e+00 3.66 -1.006617735e+00 -1.006617735e+00 3.68 -9.582199984e-01 -9.582199984e-01 3.70 -9.093277729e-01 -9.093277729e-01 3.72 -8.598036881e-01 -8.598036881e-01 3.74 -8.095540245e-01 -8.095540245e-01 3.76 -7.586174718e-01 -7.586174718e-01 3.78 -7.072779074e-01 -7.072779074e-01 3.80 -6.561611372e-01 -6.561611372e-01 3.82 -6.061430396e-01 -6.061430396e-01 3.84 -5.586218380e-01 -5.586218380e-01 3.86 -5.160863519e-01 -5.160863519e-01 3.88 -4.634245670e-01 -4.634245670e-01 3.90 -4.200353562e-01 -4.200353562e-01 3.92 -3.926294594e-01 -3.926294594e-01 3.94 -3.763347597e-01 -3.763347597e-01 3.96 -3.663202022e-01 -3.663202022e-01 3.98 -3.594851128e-01 -3.594851128e-01 4.00 -3.540720244e-01 -3.540720244e-01 4.02 -3.493708219e-01 -3.493708219e-01 4.04 -3.451915288e-01 -3.451915288e-01 4.06 -3.413981360e-01 -3.413981360e-01 4.08 -3.378546540e-01 -3.378546540e-01 4.10 -3.344135030e-01 -3.344135030e-01 4.12 -3.309469276e-01 -3.309469276e-01 4.14 -3.273313107e-01 -3.273313107e-01 4.16 -3.234595952e-01 -3.234595952e-01 4.18 -3.193219057e-01 -3.193219057e-01 4.20 -3.149430798e-01 -3.149430798e-01 4.22 -3.102195715e-01 -3.102195715e-01 4.24 -3.051654627e-01 -3.051654627e-01 4.26 -2.998894338e-01 -2.998894338e-01 4.28 -2.944848000e-01 -2.944848000e-01 4.30 -2.890281514e-01 -2.890281514e-01 4.32 -2.835821114e-01 -2.835821114e-01 4.34 -2.781976685e-01 -2.781976685e-01 4.36 -2.729161368e-01 -2.729161368e-01 4.38 -2.677714992e-01 -2.677714992e-01 4.40 -2.628949627e-01 -2.628949627e-01 4.42 -2.582554892e-01 -2.582554892e-01 4.44 -2.537197690e-01 -2.537197690e-01 4.46 -2.491877165e-01 -2.491877165e-01 4.48 -2.445865237e-01 -2.445865237e-01 4.50 -2.398656548e-01 -2.398656548e-01 4.52 -2.349891257e-01 -2.349891257e-01 4.54 -2.299214982e-01 -2.299214982e-01 4.56 -2.246367098e-01 -2.246367098e-01 4.58 -2.191210471e-01 -2.191210471e-01 4.60 -2.133741212e-01 -2.133741212e-01 4.62 -2.074112894e-01 -2.074112894e-01 4.64 -2.012662345e-01 -2.012662345e-01 4.66 -1.949907520e-01 -1.949907520e-01 4.68 -1.886481001e-01 -1.886481001e-01 4.70 -1.822896434e-01 -1.822896434e-01 4.72 -1.759338574e-01 -1.759338574e-01 4.74 -1.696356408e-01 -1.696356408e-01 4.76 -1.634235864e-01 -1.634235864e-01 4.78 -1.573053472e-01 -1.573053472e-01 4.80 -1.512810529e-01 -1.512810529e-01 4.82 -1.453518585e-01 -1.453518585e-01 4.84 -1.395233030e-01 -1.395233030e-01 4.86 -1.338054742e-01 -1.338054742e-01 4.88 -1.282106609e-01 -1.282106609e-01 4.90 -1.227487760e-01 -1.227487760e-01 4.92 -1.174263887e-01 -1.174263887e-01 4.94 -1.122471280e-01 -1.122471280e-01 4.96 -1.072120206e-01 -1.072120206e-01 4.98 -1.023197543e-01 -1.023197543e-01 5.00 -9.756686848e-02 -9.756686848e-02 5.02 -9.294787556e-02 -9.294787556e-02 5.04 -8.845531404e-02 -8.845531404e-02 5.06 -8.407973306e-02 -8.407973306e-02 5.08 -7.980960873e-02 -7.980960873e-02 5.10 -7.563119431e-02 -7.563119431e-02 5.12 -7.152831158e-02 -7.152831158e-02 5.14 -6.748210217e-02 -6.748210217e-02 5.16 -6.347077934e-02 -6.347077934e-02 5.18 -5.946945984e-02 -5.946945984e-02 5.20 -5.545022185e-02 -5.545022185e-02 5.22 -5.138264066e-02 -5.138264066e-02 5.24 -4.723520738e-02 -4.723520738e-02 5.26 -4.297822998e-02 -4.297822998e-02 5.28 -3.858898564e-02 -3.858898564e-02 5.30 -3.405986451e-02 -3.405986451e-02 5.32 -2.940965611e-02 -2.940965611e-02 5.34 -2.469648262e-02 -2.469648262e-02 5.36 -2.002794483e-02 -2.002794483e-02 5.38 -1.556082826e-02 -1.556082826e-02 5.40 -1.148241233e-02 -1.148241233e-02 5.42 -7.972002169e-03 -7.972002169e-03 5.44 -5.154165931e-03 -5.154165931e-03 5.46 -3.064962366e-03 -3.064962366e-03 5.48 -1.648027126e-03 -1.648027126e-03 5.50 -7.801054360e-04 -7.801054360e-04 5.52 -3.102238503e-04 -3.102238503e-04 5.54 -9.460490410e-05 -9.460490410e-05 5.56 -1.793536523e-05 -1.793536523e-05 5.58 -1.073775291e-06 -1.073775291e-06 5.60 -6.108612663e-12 -6.026320370e-12 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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