# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Al3Co # 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 4.340243649e+02 nan nan 0.92 3.969074110e+02 nan nan 0.94 3.623056447e+02 nan nan 0.96 3.303060140e+02 nan nan 0.98 3.008900680e+02 4.136287014e+02 nan 1.00 2.739703412e+02 3.811413523e+02 nan 1.02 2.494165585e+02 3.507243262e+02 4.070511271e+02 1.04 2.270612975e+02 3.223916307e+02 3.758208638e+02 1.06 2.066888542e+02 2.959910819e+02 3.464011970e+02 1.08 1.881495645e+02 2.715067004e+02 3.188634375e+02 1.10 1.712992726e+02 2.488973689e+02 2.932382482e+02 1.12 1.559955474e+02 2.280884127e+02 2.695009862e+02 1.14 1.421014002e+02 2.089841264e+02 2.475893489e+02 1.16 1.294875542e+02 1.914769367e+02 2.274165908e+02 1.18 1.180336862e+02 1.754539950e+02 2.088813059e+02 1.20 1.076289499e+02 1.608018318e+02 1.918745796e+02 1.22 9.817201282e+01 1.474095532e+02 1.762851248e+02 1.24 8.957077211e+01 1.351709490e+02 1.620028861e+02 1.26 8.174187309e+01 1.239857994e+02 1.489214876e+02 1.28 7.461011415e+01 1.137605962e+02 1.369398149e+02 1.30 6.810779912e+01 1.044088459e+02 1.259629592e+02 1.32 6.217407830e+01 9.585107875e+01 1.159026928e+02 1.34 5.675430481e+01 8.801465771e+01 1.066776113e+02 1.36 5.179942376e+01 8.083345812e+01 9.821304450e+01 1.38 4.726540329e+01 7.424746789e+01 9.044080716e+01 1.40 4.311271286e+01 6.820234701e+01 8.329885201e+01 1.42 3.930584948e+01 6.264897233e+01 7.673086371e+01 1.44 3.581291106e+01 5.754298503e+01 7.068582397e+01 1.46 3.260521451e+01 5.284435501e+01 6.511756696e+01 1.48 2.965695507e+01 4.851696839e+01 5.998433514e+01 1.50 2.694490351e+01 4.452824322e+01 5.524836627e+01 1.52 2.444813721e+01 4.084877618e+01 5.087551090e+01 1.54 2.214780162e+01 3.745201970e+01 4.683487646e+01 1.56 2.002689860e+01 3.431398956e+01 4.309850068e+01 1.58 1.807009842e+01 3.141300165e+01 3.964105478e+01 1.60 1.626357266e+01 2.872943544e+01 3.643957439e+01 1.62 1.459484535e+01 2.624552261e+01 3.347321801e+01 1.64 1.305266013e+01 2.394515860e+01 3.072305061e+01 1.66 1.162686144e+01 2.181373431e+01 2.817185029e+01 1.68 1.030828800e+01 1.983798669e+01 2.580393669e+01 1.70 9.088677126e+00 1.800586546e+01 2.360501821e+01 1.72 7.960578436e+00 1.630641360e+01 2.156205633e+01 1.74 6.917276003e+00 1.472963863e+01 1.966314518e+01 1.76 5.952717824e+00 1.326638126e+01 1.789740450e+01 1.78 5.061447176e+00 1.190823482e+01 1.625488433e+01 1.80 4.238483343e+00 1.064748141e+01 1.472648031e+01 1.82 3.479209647e+00 9.477034227e+00 1.330385793e+01 1.84 2.779340539e+00 8.390385533e+00 1.197938477e+01 1.86 2.134895949e+00 7.381559499e+00 1.074606985e+01 1.88 1.542157781e+00 6.445069269e+00 9.597508876e+00 1.90 9.976379645e-01 5.575877908e+00 8.527835015e+00 1.92 4.980644815e-01 4.769362630e+00 7.531674204e+00 1.94 4.036913925e-02 4.021281984e+00 6.604104557e+00 1.96 -3.783239790e-01 3.327745649e+00 5.740619434e+00 1.98 -7.607094215e-01 2.685183084e+00 4.937093244e+00 2.00 -1.109310698e+00 2.090296828e+00 4.189730155e+00 2.02 -1.426490048e+00 1.540002962e+00 3.494982812e+00 2.04 -1.714457716e+00 1.031407437e+00 2.849521079e+00 2.06 -1.975280733e+00 5.617960537e-01 2.250220988e+00 2.08 -2.210891257e+00 1.286249753e-01 1.694154270e+00 2.10 -2.423094483e+00 -2.704884120e-01 1.178578190e+00 2.12 -2.613576148e+00 -6.377742571e-01 7.009257545e-01 2.14 -2.783909656e+00 -9.753186727e-01 2.587962165e-01 2.16 -2.935562833e+00 -1.285071838e+00 -1.500541017e-01 2.18 -3.069904337e+00 -1.568855754e+00 -5.277206399e-01 2.20 -3.188209734e+00 -1.828371701e+00 -8.761591437e-01 2.22 -3.291667256e+00 -2.065207376e+00 -1.197193881e+00 2.24 -3.381383256e+00 -2.280843717e+00 -1.492525528e+00 2.26 -3.458387390e+00 -2.476661481e+00 -1.763738830e+00 2.28 -3.523638540e+00 -2.653950255e+00 -2.012314026e+00 2.30 -3.578032263e+00 -2.813921925e+00 -2.239645095e+00 2.32 -3.622405612e+00 -2.957717556e+00 -2.447048220e+00 2.34 -3.657540714e+00 -3.086411334e+00 -2.635765964e+00 2.36 -3.684168146e+00 -3.201014282e+00 -2.806971198e+00 2.38 -3.702970091e+00 -3.302477772e+00 -2.961770827e+00 2.40 -3.714583330e+00 -3.391696845e+00 -3.101209315e+00 2.42 -3.719602036e+00 -3.469513358e+00 -3.226272030e+00 2.44 -3.718580420e+00 -3.536718953e+00 -3.337888419e+00 2.46 -3.712035211e+00 -3.594057876e+00 -3.436935009e+00 2.48 -3.700447992e+00 -3.642229631e+00 -3.524238263e+00 2.50 -3.684267393e+00 -3.681891507e+00 -3.600577277e+00 2.52 -3.663911160e+00 -3.713660946e+00 -3.666686339e+00 2.54 -3.639768096e+00 -3.738117804e+00 -3.723257360e+00 2.56 -3.612199886e+00 -3.755806475e+00 -3.770942169e+00 2.58 -3.581542814e+00 -3.767237906e+00 -3.810354694e+00 2.60 -3.548109375e+00 -3.772891499e+00 -3.842073025e+00 2.62 -3.512189791e+00 -3.773216910e+00 -3.866641372e+00 2.64 -3.474053439e+00 -3.768635748e+00 -3.884571916e+00 2.66 -3.433950182e+00 -3.759543188e+00 -3.896346567e+00 2.68 -3.392111633e+00 -3.746309484e+00 -3.902418627e+00 2.70 -3.348752332e+00 -3.729281411e+00 -3.903214362e+00 2.72 -3.304070856e+00 -3.708783616e+00 -3.899134501e+00 2.74 -3.258250859e+00 -3.685119905e+00 -3.890555642e+00 2.76 -3.211462051e+00 -3.658574452e+00 -3.877831594e+00 2.78 -3.163861112e+00 -3.629412942e+00 -3.861294645e+00 2.80 -3.115592556e+00 -3.597883657e+00 -3.841256760e+00 2.82 -3.066789539e+00 -3.564218490e+00 -3.818010719e+00 2.84 -3.017575184e+00 -3.528633917e+00 -3.791831190e+00 2.86 -2.968093906e+00 -3.491331899e+00 -3.762975750e+00 2.88 -2.918522559e+00 -3.452500750e+00 -3.731685848e+00 2.90 -2.868735903e+00 -3.412315942e+00 -3.698187715e+00 2.92 -2.818904067e+00 -3.370940875e+00 -3.662693231e+00 2.94 -2.769137637e+00 -3.328527601e+00 -3.625400739e+00 2.96 -2.719509018e+00 -3.285217502e+00 -3.586495818e+00 2.98 -2.670084147e+00 -3.241141937e+00 -3.546152015e+00 3.00 -2.620922943e+00 -3.196422849e+00 -3.504531538e+00 3.02 -2.572079731e+00 -3.151173341e+00 -3.461785908e+00 3.04 -2.523603641e+00 -3.105498215e+00 -3.418056580e+00 3.06 -2.475538970e+00 -3.059494481e+00 -3.373475524e+00 3.08 -2.427925538e+00 -3.013251816e+00 -3.328165785e+00 3.10 -2.380799008e+00 -2.966853070e+00 -3.282242001e+00 3.12 -2.334191187e+00 -2.920374652e+00 -3.235810899e+00 3.14 -2.288130316e+00 -2.873886943e+00 -3.188971764e+00 3.16 -2.242641329e+00 -2.827454675e+00 -3.141816879e+00 3.18 -2.197746107e+00 -2.781137291e+00 -3.094431944e+00 3.20 -2.153463702e+00 -2.734989280e+00 -3.046896468e+00 3.22 -2.109810562e+00 -2.689060498e+00 -2.999284147e+00 3.24 -2.066800725e+00 -2.643396460e+00 -2.951663210e+00 3.26 -2.024446013e+00 -2.598038631e+00 -2.904096756e+00 3.28 -1.982756207e+00 -2.553024680e+00 -2.856643065e+00 3.30 -1.941739210e+00 -2.508388741e+00 -2.809355899e+00 3.32 -1.901401198e+00 -2.464161638e+00 -2.762284777e+00 3.34 -1.861746769e+00 -2.420371111e+00 -2.715475241e+00 3.36 -1.822779069e+00 -2.377042022e+00 -2.668969107e+00 3.38 -1.784499922e+00 -2.334196553e+00 -2.622804700e+00 3.40 -1.746909940e+00 -2.291854384e+00 -2.577017073e+00 3.42 -1.710008634e+00 -2.250032871e+00 -2.531638221e+00 3.44 -1.673794513e+00 -2.208747208e+00 -2.486697273e+00 3.46 -1.638265176e+00 -2.168010574e+00 -2.442220685e+00 3.48 -1.603417397e+00 -2.127834284e+00 -2.398265624e+00 3.50 -1.569247211e+00 -2.088227915e+00 -2.355658838e+00 3.52 -1.535749982e+00 -2.049199441e+00 -2.316279292e+00 3.54 -1.502920474e+00 -2.010755344e+00 -2.276603383e+00 3.56 -1.470752918e+00 -1.972900729e+00 -2.234565149e+00 3.58 -1.439241066e+00 -1.935639428e+00 -2.193107684e+00 3.60 -1.408378252e+00 -1.898974096e+00 -2.152243018e+00 3.62 -1.378157439e+00 -1.862906304e+00 -2.111981656e+00 3.64 -1.348571265e+00 -1.827436625e+00 -2.072332681e+00 3.66 -1.319612091e+00 -1.792564713e+00 -2.033303862e+00 3.68 -1.291272038e+00 -1.758289380e+00 -1.994901746e+00 3.70 -1.263543023e+00 -1.724608664e+00 -1.957131750e+00 3.72 -1.236416797e+00 -1.691519897e+00 -1.919998244e+00 3.74 -1.209884974e+00 -1.659019768e+00 -1.883504631e+00 3.76 -1.183939057e+00 -1.627104374e+00 -1.847653420e+00 3.78 -1.158570472e+00 -1.595769282e+00 -1.812446298e+00 3.80 -1.133770584e+00 -1.565009575e+00 -1.777884196e+00 3.82 -1.109530725e+00 -1.534819897e+00 -1.743967344e+00 3.84 -1.085842212e+00 -1.505194502e+00 -1.710695335e+00 3.86 -1.062696365e+00 -1.476127289e+00 -1.678067174e+00 3.88 -1.040084525e+00 -1.447611846e+00 -1.646081330e+00 3.90 -1.017998070e+00 -1.419641478e+00 -1.614735779e+00 3.92 -9.964284245e-01 -1.392209247e+00 -1.584028050e+00 3.94 -9.753670771e-01 -1.365307998e+00 -1.553955264e+00 3.96 -9.548055883e-01 -1.338930391e+00 -1.524514167e+00 3.98 -9.347356015e-01 -1.313068922e+00 -1.495701169e+00 4.00 -9.151488512e-01 -1.287715953e+00 -1.467512372e+00 4.02 -8.951265203e-01 -1.262863731e+00 -1.439943599e+00 4.04 -8.615765989e-01 -1.238504412e+00 -1.412990417e+00 4.06 -7.804650652e-01 -1.214630077e+00 -1.386648166e+00 4.08 -6.868931304e-01 -1.191232752e+00 -1.360911973e+00 4.10 -6.723233751e-01 -1.168304425e+00 -1.335776773e+00 4.12 -6.593690165e-01 -1.145837059e+00 -1.311237327e+00 4.14 -6.468532182e-01 -1.123822609e+00 -1.287288231e+00 4.16 -6.347670638e-01 -1.102253032e+00 -1.263923931e+00 4.18 -6.231015196e-01 -1.081120300e+00 -1.241138727e+00 4.20 -6.118474049e-01 -1.060416412e+00 -1.218926786e+00 4.22 -6.009953587e-01 -1.040133402e+00 -1.197282140e+00 4.24 -5.905358035e-01 -1.020263348e+00 -1.176198690e+00 4.26 -5.804589061e-01 -1.000854248e+00 -1.155670205e+00 4.28 -5.707545355e-01 -9.830438962e-01 -1.135690320e+00 4.30 -5.614122178e-01 -9.694934018e-01 -1.116252529e+00 4.32 -5.524210893e-01 -9.585777890e-01 -1.097350175e+00 4.34 -5.437698481e-01 -9.425249499e-01 -1.078976444e+00 4.36 -5.354467038e-01 -9.254880443e-01 -1.061124345e+00 4.38 -5.274393284e-01 -9.087764031e-01 -1.043786700e+00 4.40 -5.192744974e-01 -8.923832257e-01 -1.026956120e+00 4.42 -5.022632608e-01 -8.763018191e-01 -1.010624985e+00 4.44 -4.485662132e-01 -8.605256006e-01 -9.947854195e-01 4.46 -3.381178102e-01 -8.450480992e-01 -9.794292649e-01 4.48 -2.792017515e-01 -8.298629576e-01 -9.645480479e-01 4.50 -2.735485807e-01 -8.149639334e-01 -9.501329482e-01 4.52 -2.680086728e-01 -8.003449002e-01 -9.361747623e-01 4.54 -2.625797717e-01 -7.859998485e-01 -9.226638651e-01 4.56 -2.572596632e-01 -7.719228858e-01 -9.095901698e-01 4.58 -2.520461748e-01 -7.581082377e-01 -8.969430851e-01 4.60 -2.469371751e-01 -7.445502472e-01 -8.847114720e-01 4.62 -2.419305731e-01 -7.312433754e-01 -8.728835990e-01 4.64 -2.370243184e-01 -7.181822007e-01 -8.614470979e-01 4.66 -2.322163996e-01 -7.053614186e-01 -8.503889203e-01 4.68 -2.275048449e-01 -6.927758412e-01 -8.396952961e-01 4.70 -2.228877207e-01 -6.804203963e-01 -8.293516956e-01 4.72 -2.183631314e-01 -6.682901269e-01 -8.193427956e-01 4.74 -2.139292187e-01 -6.563801900e-01 -8.096524533e-01 4.76 -2.095841612e-01 -6.446858554e-01 -8.002636877e-01 4.78 -2.053261736e-01 -6.332025048e-01 -7.911586719e-01 4.80 -2.011535063e-01 -6.219256304e-01 -7.823187385e-01 4.82 -1.970644446e-01 -6.108508337e-01 -7.737243999e-01 4.84 -1.930573082e-01 -5.999738237e-01 -7.653553869e-01 4.86 -1.891304507e-01 -5.892904157e-01 -7.571907071e-01 4.88 -1.852822588e-01 -5.787965298e-01 -7.492087259e-01 4.90 -1.815111518e-01 -5.684881888e-01 -7.413872721e-01 4.92 -1.774021449e-01 -5.574560716e-01 -7.328546993e-01 4.94 -1.677291078e-01 -5.339848370e-01 -7.122307843e-01 4.96 -1.390498076e-01 -4.636546389e-01 -6.405634913e-01 4.98 -7.495579560e-02 -2.794792393e-01 -4.136143280e-01 5.00 -9.347525443e-23 -3.315082549e-22 -3.562482403e-22 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00