# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Liu-Z-Li-B-Guo-Y-et-al--Mo-Re # implementation = 2025--Liu-Z--Mo-Re--LAMMPS--ipr1 # composition = MoRe3 # 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 2025-12-17 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 4.447956619e+03 nan nan 0.84 3.897554792e+03 nan nan 0.86 3.422074463e+03 nan nan 0.88 3.010433319e+03 nan nan 0.90 2.653849862e+03 4.245937002e+03 nan 0.92 2.343337087e+03 3.760503764e+03 4.388194454e+03 0.94 2.072538224e+03 3.336811907e+03 3.896755656e+03 0.96 1.835800405e+03 2.966361660e+03 3.465714759e+03 0.98 1.628513556e+03 2.641320093e+03 3.087046148e+03 1.00 1.446902589e+03 2.355660174e+03 2.753797878e+03 1.02 1.287382251e+03 2.104216436e+03 2.460508512e+03 1.04 1.146904416e+03 1.882075559e+03 2.201528787e+03 1.06 1.022945926e+03 1.686060761e+03 1.972709632e+03 1.08 9.133790314e+02 1.512505563e+03 1.770174296e+03 1.10 8.164107406e+02 1.358450863e+03 1.590714690e+03 1.12 7.305738083e+02 1.221411720e+03 1.431202353e+03 1.14 6.546509851e+02 1.099363375e+03 1.289169244e+03 1.16 5.870570642e+02 9.904128044e+02 1.162617098e+03 1.18 5.270383668e+02 8.930333277e+02 1.050141703e+03 1.20 4.733750653e+02 8.058348899e+02 9.494955776e+02 1.22 4.253851391e+02 7.276654343e+02 8.593359915e+02 1.24 3.823120620e+02 6.575827841e+02 7.783443001e+02 1.26 3.436398225e+02 5.945453080e+02 7.055537998e+02 1.28 3.088764381e+02 5.377306037e+02 6.400675882e+02 1.30 2.776230959e+02 4.865257813e+02 5.810562668e+02 1.32 2.494435488e+02 4.403407893e+02 5.276828689e+02 1.34 2.240404109e+02 3.986322292e+02 4.793777878e+02 1.36 2.011009705e+02 3.609324290e+02 4.355974677e+02 1.38 1.803941358e+02 3.268142176e+02 3.958620517e+02 1.40 1.615974796e+02 2.958969200e+02 3.598069154e+02 1.42 1.445744427e+02 2.678388758e+02 3.269398831e+02 1.44 1.291557179e+02 2.423514191e+02 2.970781612e+02 1.46 1.151930422e+02 2.192040698e+02 2.697974299e+02 1.48 1.025530187e+02 1.981501169e+02 2.448874504e+02 1.50 9.115277163e+01 1.789323949e+02 2.221556039e+02 1.52 8.079871568e+01 1.614431142e+02 2.014360245e+02 1.54 7.144356939e+01 1.455445917e+02 1.825103277e+02 1.56 6.299568163e+01 1.310934442e+02 1.652828422e+02 1.58 5.540674588e+01 1.179598786e+02 1.495746690e+02 1.60 4.860307046e+01 1.060248039e+02 1.352456044e+02 1.62 4.250224776e+01 9.517699429e+01 1.221642607e+02 1.64 3.703080307e+01 8.531551867e+01 1.102057998e+02 1.66 3.213486943e+01 7.634889536e+01 9.926281030e+01 1.68 2.774117355e+01 6.822465841e+01 8.927696038e+01 1.70 2.381159424e+01 6.079879087e+01 8.008989941e+01 1.72 2.029520702e+01 5.404711207e+01 7.168076857e+01 1.74 1.714473985e+01 4.793554734e+01 6.398808109e+01 1.76 1.431510941e+01 4.254422715e+01 5.698353849e+01 1.78 1.178356636e+01 3.767133541e+01 5.063123128e+01 1.80 9.660838101e+00 3.325830290e+01 4.487362675e+01 1.82 8.048972700e+00 2.925727855e+01 3.965780344e+01 1.84 6.591840518e+00 2.562603381e+01 3.493375493e+01 1.86 5.308848401e+00 2.232705604e+01 3.065371497e+01 1.88 4.081820467e+00 1.932594164e+01 2.677348301e+01 1.90 2.952528310e+00 1.661875584e+01 2.330216819e+01 1.92 1.910141794e+00 1.415434019e+01 2.008928382e+01 1.94 9.454961786e-01 1.193663969e+01 1.717111435e+01 1.96 5.022844430e-02 9.879439136e+00 1.451937838e+01 1.98 -7.820982568e-01 7.999771015e+00 1.210804490e+01 2.00 -1.552180849e+00 6.299928933e+00 9.911867254e+00 2.02 -2.263580684e+00 4.894056836e+00 8.177659459e+00 2.04 -2.917813658e+00 3.689044433e+00 6.717451820e+00 2.06 -3.515953762e+00 2.588333056e+00 5.393293514e+00 2.08 -4.059120760e+00 1.581659120e+00 4.189835372e+00 2.10 -4.547872618e+00 6.597989514e-01 3.093023139e+00 2.12 -4.984645849e+00 -1.849598968e-01 2.090606990e+00 2.14 -5.373343635e+00 -9.600043488e-01 1.172090696e+00 2.16 -5.717780633e+00 -1.673063450e+00 3.279086417e-01 2.18 -6.014275037e+00 -2.314514474e+00 -4.264879984e-01 2.20 -6.240028684e+00 -2.878801685e+00 -1.082428679e+00 2.22 -6.461028097e+00 -3.394525425e+00 -1.681096983e+00 2.24 -6.650877382e+00 -3.864337746e+00 -2.198445926e+00 2.26 -6.813273833e+00 -4.292854421e+00 -2.703903670e+00 2.28 -6.950493784e+00 -4.684371744e+00 -3.166732512e+00 2.30 -7.064754098e+00 -5.042648514e+00 -3.593101218e+00 2.32 -7.158096484e+00 -5.369848763e+00 -3.986909492e+00 2.34 -7.231741437e+00 -5.666154058e+00 -4.348631492e+00 2.36 -7.286782234e+00 -5.932446580e+00 -4.679339704e+00 2.38 -7.324285314e+00 -6.171260606e+00 -4.982058370e+00 2.40 -7.345281684e+00 -6.384933173e+00 -5.259767065e+00 2.42 -7.350764817e+00 -6.575065570e+00 -5.515240970e+00 2.44 -7.341952833e+00 -6.743437386e+00 -5.750873259e+00 2.46 -7.320440606e+00 -6.891990487e+00 -5.968959346e+00 2.48 -7.287547078e+00 -7.022300104e+00 -6.171283559e+00 2.50 -7.244682047e+00 -7.129421792e+00 -6.359514410e+00 2.52 -7.193194785e+00 -7.226914352e+00 -6.535098629e+00 2.54 -7.134382629e+00 -7.312977170e+00 -6.698354636e+00 2.56 -7.069497641e+00 -7.384683211e+00 -6.849026756e+00 2.58 -6.999621234e+00 -7.442424375e+00 -6.987023927e+00 2.60 -6.925258668e+00 -7.486553129e+00 -7.112540454e+00 2.62 -6.846735496e+00 -7.490987469e+00 -7.225786001e+00 2.64 -6.764461291e+00 -7.514737715e+00 -7.326898487e+00 2.66 -6.678889271e+00 -7.524474803e+00 -7.415502623e+00 2.68 -6.590450803e+00 -7.520837521e+00 -7.490970046e+00 2.70 -6.499646517e+00 -7.504440256e+00 -7.552679965e+00 2.72 -6.407096784e+00 -7.475927027e+00 -7.600103475e+00 2.74 -6.313026012e+00 -7.436326965e+00 -7.633335204e+00 2.76 -6.217505949e+00 -7.386816099e+00 -7.652734521e+00 2.78 -6.106955945e+00 -7.328535517e+00 -7.658640448e+00 2.80 -6.011662060e+00 -7.262682619e+00 -7.651506868e+00 2.82 -5.914517435e+00 -7.190415903e+00 -7.632215788e+00 2.84 -5.815712924e+00 -7.112772028e+00 -7.601705030e+00 2.86 -5.715432002e+00 -7.030753787e+00 -7.560872010e+00 2.88 -5.613850822e+00 -6.945290513e+00 -7.510530968e+00 2.90 -5.511139334e+00 -6.856877796e+00 -7.425988128e+00 2.92 -5.407473230e+00 -6.765707115e+00 -7.363705697e+00 2.94 -5.303030151e+00 -6.671948788e+00 -7.292555309e+00 2.96 -5.197981739e+00 -6.575763827e+00 -7.213232038e+00 2.98 -5.092493546e+00 -6.477306223e+00 -7.126415452e+00 3.00 -4.986725081e+00 -6.376709866e+00 -7.032751799e+00 3.02 -4.880829833e+00 -6.274068106e+00 -6.932825915e+00 3.04 -4.774955273e+00 -6.169456659e+00 -6.827194212e+00 3.06 -4.669242844e+00 -6.062988743e+00 -6.716467676e+00 3.08 -4.563827926e+00 -5.954881206e+00 -6.601370505e+00 3.10 -4.458839782e+00 -5.845488802e+00 -6.482613885e+00 3.12 -4.354401477e+00 -5.735197925e+00 -6.360881738e+00 3.14 -4.250629773e+00 -5.624378573e+00 -6.236831035e+00 3.16 -4.147634997e+00 -5.513346994e+00 -6.111092052e+00 3.18 -4.045520876e+00 -5.402328710e+00 -5.984268568e+00 3.20 -3.944385075e+00 -5.291528341e+00 -5.856940062e+00 3.22 -3.844339676e+00 -5.181180259e+00 -5.729718888e+00 3.24 -3.745516025e+00 -5.071557418e+00 -5.603209521e+00 3.26 -3.647995082e+00 -4.962928653e+00 -5.477901799e+00 3.28 -3.551709917e+00 -4.855556439e+00 -5.354260894e+00 3.30 -3.456568354e+00 -4.749697094e+00 -5.232739445e+00 3.32 -3.362491276e+00 -4.645600240e+00 -5.113776736e+00 3.34 -3.269508848e+00 -4.543411585e+00 -4.997652835e+00 3.36 -3.177680849e+00 -4.443077963e+00 -4.884346129e+00 3.38 -3.087059760e+00 -4.344524475e+00 -4.773798987e+00 3.40 -2.997697379e+00 -4.247678214e+00 -4.665953293e+00 3.42 -2.909644866e+00 -4.152468210e+00 -4.560750301e+00 3.44 -2.822952769e+00 -4.058825383e+00 -4.458130486e+00 3.46 -2.737671059e+00 -3.966682490e+00 -4.358033377e+00 3.48 -2.653849157e+00 -3.875974083e+00 -4.260397385e+00 3.50 -2.571535956e+00 -3.786636457e+00 -4.165159613e+00 3.52 -2.490779841e+00 -3.698611415e+00 -4.072255651e+00 3.54 -2.411628705e+00 -3.611900666e+00 -3.981619508e+00 3.56 -2.334129951e+00 -3.526551693e+00 -3.893208058e+00 3.58 -2.258330502e+00 -3.442612396e+00 -3.807028865e+00 3.60 -2.184276780e+00 -3.360129873e+00 -3.723095749e+00 3.62 -2.112014701e+00 -3.279150444e+00 -3.641422360e+00 3.64 -2.041589634e+00 -3.199702686e+00 -3.561996711e+00 3.66 -1.973046359e+00 -3.121743979e+00 -3.484700951e+00 3.68 -1.906429012e+00 -3.045215318e+00 -3.409392235e+00 3.70 -1.841780990e+00 -2.970060704e+00 -3.335930961e+00 3.72 -1.779143474e+00 -2.896225717e+00 -3.264180688e+00 3.74 -1.718497769e+00 -2.823657332e+00 -3.194008055e+00 3.76 -1.659746128e+00 -2.752303867e+00 -3.125282710e+00 3.78 -1.602786844e+00 -2.682114936e+00 -3.057877234e+00 3.80 -1.547521282e+00 -2.613041386e+00 -2.991667072e+00 3.82 -1.493854481e+00 -2.545035249e+00 -2.926530463e+00 3.84 -1.441692265e+00 -2.478050213e+00 -2.862348380e+00 3.86 -1.390940473e+00 -2.412057243e+00 -2.799004464e+00 3.88 -1.341504565e+00 -2.347046567e+00 -2.736384963e+00 3.90 -1.293288837e+00 -2.283009625e+00 -2.674378677e+00 3.92 -1.246195863e+00 -2.219937945e+00 -2.612876900e+00 3.94 -1.200125725e+00 -2.157823042e+00 -2.551773370e+00 3.96 -1.154975147e+00 -2.096641909e+00 -2.490964215e+00 3.98 -1.110653714e+00 -2.036332004e+00 -2.430347904e+00 4.00 -1.067107688e+00 -1.976824801e+00 -2.369825202e+00 4.02 -1.024282008e+00 -1.918052515e+00 -2.309299127e+00 4.04 -9.821121808e-01 -1.859947889e+00 -2.248674906e+00 4.06 -9.405234877e-01 -1.802445504e+00 -2.187862199e+00 4.08 -8.994442926e-01 -1.745522767e+00 -2.126836932e+00 4.10 -8.588244283e-01 -1.689203671e+00 -2.065647319e+00 4.12 -8.186996391e-01 -1.633512418e+00 -2.004344745e+00 4.14 -7.791388592e-01 -1.578470525e+00 -1.942979958e+00 4.16 -7.402152509e-01 -1.524096465e+00 -1.881603118e+00 4.18 -7.019861932e-01 -1.470405220e+00 -1.820263828e+00 4.20 -6.643159061e-01 -1.417407695e+00 -1.759011161e+00 4.22 -6.279622293e-01 -1.365110191e+00 -1.697893707e+00 4.24 -5.939043023e-01 -1.313514066e+00 -1.636960250e+00 4.26 -5.590556762e-01 -1.262615792e+00 -1.576261348e+00 4.28 -5.218992833e-01 -1.212404889e+00 -1.515847611e+00 4.30 -4.840581947e-01 -1.162862321e+00 -1.455769223e+00 4.32 -4.480141705e-01 -1.113955566e+00 -1.396076124e+00 4.34 -4.149846889e-01 -1.058812195e+00 -1.336817828e+00 4.36 -3.857591725e-01 -1.012069342e+00 -1.278043819e+00 4.38 -3.604140665e-01 -9.657992706e-01 -1.219803158e+00 4.40 -3.389842116e-01 -9.200367095e-01 -1.162144892e+00 4.42 -3.203209112e-01 -8.748161636e-01 -1.105118060e+00 4.44 -3.025924933e-01 -8.301746593e-01 -1.048775930e+00 4.46 -2.846045492e-01 -7.861710065e-01 -9.932018429e-01 4.48 -2.516682814e-01 -7.428714911e-01 -9.384918230e-01 4.50 -2.331795740e-01 -7.003367669e-01 -8.847414127e-01 4.52 -2.130500422e-01 -6.586467769e-01 -8.320455965e-01 4.54 -1.916908093e-01 -6.178293712e-01 -7.804958782e-01 4.56 -1.701355416e-01 -5.779923835e-01 -7.301862840e-01 4.58 -1.491558209e-01 -5.385676088e-01 -6.811681051e-01 4.60 -1.292694517e-01 -5.004921881e-01 -6.334161689e-01 4.62 -1.108045365e-01 -4.654084266e-01 -5.869695297e-01 4.64 -9.394601068e-02 -4.336484123e-01 -5.410858110e-01 4.66 -7.877312002e-02 -4.009618576e-01 -4.979224327e-01 4.68 -6.528926162e-02 -3.654198844e-01 -4.595565448e-01 4.70 -5.344535822e-02 -3.266905528e-01 -4.218255932e-01 4.72 -4.315781409e-02 -2.840805814e-01 -3.806174418e-01 4.74 -3.432198353e-02 -2.400879338e-01 -3.351800396e-01 4.76 -2.682197448e-02 -1.971285506e-01 -2.850379987e-01 4.78 -2.053750691e-02 -1.576782416e-01 -2.340258024e-01 4.80 -1.534845019e-02 -1.234192459e-01 -1.856941152e-01 4.82 -1.113757499e-02 -9.483099979e-02 -1.434047815e-01 4.84 -7.791973112e-03 -7.171308265e-02 -1.084798181e-01 4.86 -5.203523673e-03 -5.352837614e-02 -8.081949019e-02 4.88 -3.268715800e-03 -3.960961591e-02 -5.965868191e-02 4.90 -1.888076432e-03 -2.927138074e-02 -4.399734232e-02 4.92 -9.653973079e-04 -2.186032731e-02 -3.281564334e-02 4.94 -4.069073480e-04 -1.676839736e-02 -2.515723330e-02 4.96 -1.204957131e-04 -1.342679643e-02 -2.014060900e-02 4.98 -1.505665849e-05 -1.129157928e-02 -1.693737544e-02 5.00 -8.232141267e-11 -4.735053657e-03 -7.685455801e-03 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