# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Al-Mn # implementation = 2025--Sharifi-H--Co-Al-Mn--LAMMPS--ipr1 # composition = CoMn3 # 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 2025-07-01 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 1.279718504e+03 nan nan 0.92 1.155413387e+03 nan nan 0.94 1.040434864e+03 nan nan 0.96 9.348890991e+02 nan nan 0.98 8.386098331e+02 1.081980488e+03 nan 1.00 7.512407521e+02 9.898880106e+02 nan 1.02 6.722996635e+02 9.030165897e+02 1.161156303e+03 1.04 6.012278089e+02 8.217471736e+02 1.059258584e+03 1.06 5.374271394e+02 7.462431466e+02 9.644515411e+02 1.08 4.802879321e+02 6.765031663e+02 8.767426488e+02 1.10 4.292087326e+02 6.124041404e+02 7.959890144e+02 1.12 3.836102625e+02 5.537358003e+02 7.219397254e+02 1.14 3.429446401e+02 5.002282499e+02 6.542696583e+02 1.16 3.067010100e+02 4.515736901e+02 5.926062113e+02 1.18 2.744084650e+02 4.074432929e+02 5.365500543e+02 1.20 2.456369673e+02 3.675001164e+02 4.856910378e+02 1.22 2.199968306e+02 3.314087939e+02 4.396201522e+02 1.24 1.971373210e+02 2.988426094e+02 3.979382855e+02 1.26 1.773507885e+02 2.694884921e+02 3.602624284e+02 1.28 1.618443676e+02 2.430503565e+02 3.262298490e+02 1.30 1.487292622e+02 2.192511525e+02 2.955006804e+02 1.32 1.367854794e+02 1.978335643e+02 2.677592819e+02 1.34 1.254428846e+02 1.788108646e+02 2.427146679e+02 1.36 1.144968073e+02 1.621693470e+02 2.201002475e+02 1.38 1.039306508e+02 1.473269410e+02 1.996730625e+02 1.40 9.380953400e+01 1.339032580e+02 1.812126796e+02 1.42 8.421999656e+01 1.216589169e+02 1.645198587e+02 1.44 7.523878477e+01 1.104406979e+02 1.494150858e+02 1.46 6.691932583e+01 1.001460910e+02 1.357370454e+02 1.48 5.928840811e+01 9.070102601e+01 1.233410831e+02 1.50 5.234827086e+01 8.204640414e+01 1.120977064e+02 1.52 4.608133727e+01 7.413088356e+01 1.018919105e+02 1.54 4.055524742e+01 6.717292427e+01 9.302093126e+01 1.56 3.604529376e+01 6.197214785e+01 8.666271240e+01 1.58 3.224887196e+01 5.780262015e+01 8.171616000e+01 1.60 2.892227372e+01 5.410206657e+01 7.733323663e+01 1.62 2.591718636e+01 5.056292676e+01 7.305394372e+01 1.64 2.314756415e+01 4.703985327e+01 6.866600243e+01 1.66 2.056671151e+01 4.348609189e+01 6.410800281e+01 1.68 1.815171564e+01 3.991067964e+01 5.940400651e+01 1.70 1.589309410e+01 3.635040538e+01 5.462054323e+01 1.72 1.378811767e+01 3.285214021e+01 4.983939944e+01 1.74 1.183667345e+01 2.946229638e+01 4.514130674e+01 1.76 1.003883170e+01 2.622108512e+01 4.059699989e+01 1.78 8.393533412e+00 2.315991172e+01 3.626311581e+01 1.80 6.897967385e+00 2.030073298e+01 3.218113834e+01 1.82 5.547406462e+00 1.765657932e+01 2.837816250e+01 1.84 4.335421311e+00 1.523268969e+01 2.486862781e+01 1.86 3.254237650e+00 1.302790552e+01 2.165647179e+01 1.88 2.295134113e+00 1.103610172e+01 1.873735741e+01 1.90 1.448825124e+00 9.247508358e+00 1.610076307e+01 1.92 7.058000360e-01 7.649853692e+00 1.373182971e+01 1.94 5.660448023e-02 6.229342403e+00 1.161291691e+01 1.96 -5.079394623e-01 4.971442032e+00 9.724851444e+00 1.98 -9.965707166e-01 3.861475191e+00 8.047879789e+00 2.00 -1.417478306e+00 2.885077957e+00 6.562404996e+00 2.02 -1.778233823e+00 2.028532348e+00 5.249525516e+00 2.04 -2.085774929e+00 1.278985181e+00 4.091398494e+00 2.06 -2.346418651e+00 6.245765096e-01 3.071463077e+00 2.08 -2.565831096e+00 5.449882877e-02 2.174556026e+00 2.10 -2.749052667e+00 -4.409952396e-01 1.386946656e+00 2.12 -2.900540590e+00 -8.706212602e-01 6.963141875e-01 2.14 -3.024216322e+00 -1.242116501e+00 9.168556406e-02 2.16 -3.123514914e+00 -1.562311697e+00 -4.366519532e-01 2.18 -3.201418081e+00 -1.837219411e+00 -8.972611768e-01 2.20 -3.260481612e+00 -2.072145480e+00 -1.297724749e+00 2.22 -3.302947723e+00 -2.271791144e+00 -1.644790842e+00 2.24 -3.330795129e+00 -2.440321791e+00 -1.944466113e+00 2.26 -3.345770063e+00 -2.581426693e+00 -2.202096500e+00 2.28 -3.349413521e+00 -2.698372123e+00 -2.422439256e+00 2.30 -3.343085217e+00 -2.794048637e+00 -2.609727227e+00 2.32 -3.327984659e+00 -2.871013148e+00 -2.767726219e+00 2.34 -3.305169661e+00 -2.931526328e+00 -2.899786128e+00 2.36 -3.275572629e+00 -2.977585896e+00 -3.008886558e+00 2.38 -3.240014885e+00 -3.010956212e+00 -3.097677495e+00 2.40 -3.199219266e+00 -3.033194572e+00 -3.168515553e+00 2.42 -3.153821236e+00 -3.045674304e+00 -3.223495929e+00 2.44 -3.104378694e+00 -3.049587078e+00 -3.264458580e+00 2.46 -3.051380673e+00 -3.045955050e+00 -3.293006139e+00 2.48 -2.995255273e+00 -3.035679057e+00 -3.310565905e+00 2.50 -2.936380757e+00 -3.019565933e+00 -3.318428844e+00 2.52 -2.875090908e+00 -2.998337560e+00 -3.317762269e+00 2.54 -2.811675739e+00 -2.972627338e+00 -3.309603815e+00 2.56 -2.746387321e+00 -2.942989781e+00 -3.294875263e+00 2.58 -2.679445739e+00 -2.909909638e+00 -3.274395810e+00 2.60 -2.611045075e+00 -2.873809932e+00 -3.248893818e+00 2.62 -2.541359569e+00 -2.835059018e+00 -3.219017220e+00 2.64 -2.470550100e+00 -2.793976804e+00 -3.185342720e+00 2.66 -2.398771059e+00 -2.750840220e+00 -3.148383942e+00 2.68 -2.326177600e+00 -2.705888064e+00 -3.108598632e+00 2.70 -2.252933151e+00 -2.659325305e+00 -3.066395028e+00 2.72 -2.179216852e+00 -2.611326960e+00 -3.022137482e+00 2.74 -2.105230442e+00 -2.562041655e+00 -2.976151440e+00 2.76 -2.031203856e+00 -2.511594961e+00 -2.928727822e+00 2.78 -1.957398657e+00 -2.460092647e+00 -2.880126906e+00 2.80 -1.884108352e+00 -2.407623960e+00 -2.830581745e+00 2.82 -1.811654752e+00 -2.354265060e+00 -2.780301178e+00 2.84 -1.740379799e+00 -2.300082728e+00 -2.729472495e+00 2.86 -1.670628702e+00 -2.245138455e+00 -2.678263772e+00 2.88 -1.602724075e+00 -2.189492975e+00 -2.626825936e+00 2.90 -1.537016580e+00 -2.133211240e+00 -2.575294576e+00 2.92 -1.473768845e+00 -2.076367742e+00 -2.523791533e+00 2.94 -1.413184011e+00 -2.019051960e+00 -2.472426299e+00 2.96 -1.355399540e+00 -1.961373560e+00 -2.421297241e+00 2.98 -1.300476350e+00 -1.903466803e+00 -2.370492661e+00 3.00 -1.248400417e+00 -1.845493504e+00 -2.320091730e+00 3.02 -1.199090405e+00 -1.787644099e+00 -2.270165290e+00 3.04 -1.152409946e+00 -1.730137521e+00 -2.220776546e+00 3.06 -1.108182688e+00 -1.673209887e+00 -2.171981652e+00 3.08 -1.066208138e+00 -1.617103595e+00 -2.123830214e+00 3.10 -1.026276579e+00 -1.562077203e+00 -2.076365701e+00 3.12 -9.881817725e-01 -1.508371238e+00 -2.029625780e+00 3.14 -9.517307257e-01 -1.456201602e+00 -1.983642583e+00 3.16 -9.167503068e-01 -1.405747861e+00 -1.938442911e+00 3.18 -8.830908714e-01 -1.357144232e+00 -1.894048383e+00 3.20 -8.506273486e-01 -1.310474444e+00 -1.850475530e+00 3.22 -8.192583618e-01 -1.265770903e+00 -1.807735862e+00 3.24 -7.889039862e-01 -1.223017967e+00 -1.765835895e+00 3.26 -7.595027022e-01 -1.182158565e+00 -1.724777173e+00 3.28 -7.310080107e-01 -1.143103046e+00 -1.684556286e+00 3.30 -7.033850700e-01 -1.105739047e+00 -1.645164911e+00 3.32 -6.766076024e-01 -1.069941238e+00 -1.606589891e+00 3.34 -6.506552201e-01 -1.035580065e+00 -1.568813385e+00 3.36 -6.255112417e-01 -1.002528923e+00 -1.531813106e+00 3.38 -6.011610062e-01 -9.706694771e-01 -1.495562675e+00 3.40 -5.775906507e-01 -9.398951441e-01 -1.460032121e+00 3.42 -5.547862916e-01 -9.101128936e-01 -1.425188530e+00 3.44 -5.327335362e-01 -8.812436808e-01 -1.390996868e+00 3.46 -5.114172491e-01 -8.532218434e-01 -1.357420962e+00 3.48 -4.908215030e-01 -8.259938030e-01 -1.324419012e+00 3.50 -4.709296509e-01 -7.995163753e-01 -1.291815554e+00 3.52 -4.517244682e-01 -7.737549326e-01 -1.259225456e+00 3.54 -4.331883265e-01 -7.486816044e-01 -1.227229864e+00 3.56 -4.153033679e-01 -7.242736398e-01 -1.196234169e+00 3.58 -3.980516646e-01 -7.005120010e-01 -1.165679076e+00 3.60 -3.814153518e-01 -6.773802181e-01 -1.135552075e+00 3.62 -3.653767311e-01 -6.548635010e-01 -1.105846916e+00 3.64 -3.499183467e-01 -6.329480877e-01 -1.076563347e+00 3.66 -3.350230382e-01 -6.116207936e-01 -1.047706475e+00 3.68 -3.206739737e-01 -5.908687246e-01 -1.019285805e+00 3.70 -3.068546715e-01 -5.706791172e-01 -9.913140363e-01 3.72 -2.935490117e-01 -5.510392731e-01 -9.638057674e-01 3.74 -2.807412433e-01 -5.319365590e-01 -9.367762098e-01 3.76 -2.684159870e-01 -5.133584504e-01 -9.102400373e-01 3.78 -2.565582373e-01 -4.952926020e-01 -8.842104572e-01 3.80 -2.451533624e-01 -4.777269312e-01 -8.586985553e-01 3.82 -2.341871032e-01 -4.606497050e-01 -8.337129312e-01 3.84 -2.236455711e-01 -4.440496228e-01 -8.092596050e-01 3.86 -2.135152433e-01 -4.279158891e-01 -7.853421500e-01 3.88 -2.037829574e-01 -4.122382715e-01 -7.619619890e-01 3.90 -1.944359015e-01 -3.970071395e-01 -7.391187868e-01 3.92 -1.854616034e-01 -3.822134823e-01 -7.168108736e-01 3.94 -1.768479157e-01 -3.678489017e-01 -6.950356443e-01 3.96 -1.685829986e-01 -3.539055823e-01 -6.737898961e-01 3.98 -1.606553010e-01 -3.403762372e-01 -6.530700807e-01 4.00 -1.530535400e-01 -3.272540338e-01 -6.328724628e-01 4.02 -1.456561970e-01 -3.145325029e-01 -6.131931935e-01 4.04 -1.370104354e-01 -3.022054368e-01 -5.940283096e-01 4.06 -1.253474858e-01 -2.902667823e-01 -5.753736814e-01 4.08 -2.452493583e-01 -2.787105354e-01 -5.572249280e-01 4.10 -2.367382894e-01 -2.675306436e-01 -5.395773199e-01 4.12 -2.287191913e-01 -2.567209213e-01 -5.224256850e-01 4.14 -2.209692543e-01 -2.462749814e-01 -5.057643301e-01 4.16 -2.134801253e-01 -2.361861860e-01 -4.895869851e-01 4.18 -2.062435599e-01 -2.264476171e-01 -4.738867734e-01 4.20 -1.992514414e-01 -2.170520661e-01 -4.586562093e-01 4.22 -1.924958010e-01 -2.079920396e-01 -4.438872191e-01 4.24 -1.859688382e-01 -1.992597802e-01 -4.295711837e-01 4.26 -1.796629391e-01 -1.908322526e-01 -4.156989953e-01 4.28 -1.735706936e-01 -1.824080340e-01 -4.022611248e-01 4.30 -1.676849082e-01 -1.732399795e-01 -3.892476944e-01 4.32 -1.619986153e-01 -1.632629625e-01 -3.766485493e-01 4.34 -1.565050787e-01 -1.555310157e-01 -3.644533282e-01 4.36 -1.511977951e-01 -1.488258579e-01 -3.526515262e-01 4.38 -1.460704917e-01 -1.423784905e-01 -3.412325516e-01 4.40 -1.408373059e-01 -1.361809156e-01 -3.301857751e-01 4.42 -1.305340323e-01 -1.302251662e-01 -3.195005707e-01 4.44 -1.017209841e-01 -1.245033286e-01 -3.091663516e-01 4.46 -4.440858588e-02 -1.190075604e-01 -2.991725992e-01 4.48 -1.617876904e-02 -1.137301080e-01 -2.895088895e-01 4.50 -1.543403559e-02 -1.086633214e-01 -2.801649164e-01 4.52 -1.472226614e-02 -1.037996695e-01 -2.711305123e-01 4.54 -1.404207369e-02 -9.913175384e-02 -2.623956688e-01 4.56 -1.339212527e-02 -9.465232300e-02 -2.539505559e-01 4.58 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-1.413261354e-01 4.94 -5.088909764e-03 -3.525012504e-02 -1.314044466e-01 4.96 -3.878104648e-03 -2.669064584e-02 -1.053146489e-01 4.98 -1.716251636e-03 -1.167429927e-02 -5.273793530e-02 5.00 -1.528367879e-25 -1.594395161e-23 -1.396886597e-23 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 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