# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoTa3 # 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 2024-04-11 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.705028492e+02 nan nan 1.16 3.407003229e+02 nan nan 1.18 3.133387767e+02 nan nan 1.20 2.882048140e+02 nan nan 1.22 2.651082750e+02 nan nan 1.24 2.438755071e+02 nan nan 1.26 2.243448281e+02 nan nan 1.28 2.063658513e+02 3.207234979e+02 3.682264201e+02 1.30 1.898011916e+02 2.969510043e+02 3.416500849e+02 1.32 1.745278344e+02 2.749612605e+02 3.170327393e+02 1.34 1.604366233e+02 2.546118034e+02 2.942155079e+02 1.36 1.474301815e+02 2.357723989e+02 2.730556340e+02 1.38 1.354203866e+02 2.183235595e+02 2.534244240e+02 1.40 1.243263005e+02 2.021558793e+02 2.352042330e+02 1.42 1.140730198e+02 1.871694838e+02 2.182857021e+02 1.44 1.045915249e+02 1.732727863e+02 2.025661681e+02 1.46 9.581908810e+01 1.603806752e+02 1.879497323e+02 1.48 8.769946657e+01 1.484129530e+02 1.743485261e+02 1.50 8.018240345e+01 1.372937578e+02 1.616838091e+02 1.52 7.322264135e+01 1.269521026e+02 1.498858000e+02 1.54 6.677892713e+01 1.173230618e+02 1.388923144e+02 1.56 6.081326246e+01 1.083488197e+02 1.286470720e+02 1.58 5.529039341e+01 9.997894708e+01 1.190984313e+02 1.60 5.017744669e+01 9.216976823e+01 1.101987361e+02 1.62 4.544363016e+01 8.488315850e+01 1.019039681e+02 1.64 4.105998827e+01 7.808525713e+01 9.417331431e+01 1.66 3.699929173e+01 7.174541671e+01 8.696851724e+01 1.68 3.323613793e+01 6.583546902e+01 8.025318325e+01 1.70 2.974722023e+01 6.032922198e+01 7.399233719e+01 1.72 2.651159675e+01 5.520206043e+01 6.815241052e+01 1.74 2.351076980e+01 5.043058572e+01 6.270163307e+01 1.76 2.072852207e+01 4.599232216e+01 5.761059934e+01 1.78 1.816017950e+01 4.186555576e+01 5.285271774e+01 1.80 1.579920885e+01 3.802932660e+01 4.840435341e+01 1.82 1.363223186e+01 3.446352423e+01 4.424464829e+01 1.84 1.164674008e+01 3.114900889e+01 4.035512741e+01 1.86 9.830183811e+00 2.806770430e+01 3.671922999e+01 1.88 8.170468997e+00 2.520263982e+01 3.332186598e+01 1.90 6.656024219e+00 2.253794147e+01 3.014904626e+01 1.92 5.275886954e+00 2.005905980e+01 2.718759695e+01 1.94 4.019763195e+00 1.776056380e+01 2.442495181e+01 1.96 2.878033980e+00 1.563605756e+01 2.184901748e+01 1.98 1.841702919e+00 1.367294910e+01 1.944954874e+01 2.00 9.022949997e-01 1.185954328e+01 1.722544757e+01 2.02 5.173553813e-02 1.018427069e+01 1.516697288e+01 2.04 -7.177475057e-01 8.636396542e+00 1.326292865e+01 2.06 -1.413657153e+00 7.206179449e+00 1.150337478e+01 2.08 -2.043179654e+00 5.884901793e+00 9.878751849e+00 2.10 -2.613071875e+00 4.664817709e+00 8.380054877e+00 2.12 -3.129526256e+00 3.539037555e+00 6.998849005e+00 2.14 -3.598060339e+00 2.501385504e+00 5.727097502e+00 2.16 -4.023461531e+00 1.546263371e+00 4.556994729e+00 2.18 -4.409793738e+00 6.685374652e-01 3.480851485e+00 2.20 -4.760455194e+00 -1.365517767e-01 2.491072021e+00 2.22 -5.078271351e+00 -8.734667776e-01 1.580238144e+00 2.24 -5.365607351e+00 -1.546445474e+00 7.412810328e-01 2.26 -5.624484701e+00 -2.159572408e+00 -3.231095330e-02 2.28 -5.856687016e+00 -2.716843850e+00 -7.463141289e-01 2.30 -6.063843589e+00 -3.222217383e+00 -1.405674081e+00 2.32 -6.247486715e+00 -3.679634703e+00 -2.014513502e+00 2.34 -6.409085250e+00 -4.093009072e+00 -2.576228881e+00 2.36 -6.550060352e+00 -4.466176305e+00 -3.093640138e+00 2.38 -6.671789766e+00 -4.802818331e+00 -3.569153645e+00 2.40 -6.775605725e+00 -5.106377254e+00 -4.004908115e+00 2.42 -6.862789858e+00 -5.379981154e+00 -4.402886585e+00 2.44 -6.934413075e+00 -5.626398675e+00 -4.764990023e+00 2.46 -6.991522735e+00 -5.848029823e+00 -5.093076397e+00 2.48 -7.035484755e+00 -6.046929811e+00 -5.388973305e+00 2.50 -7.067549034e+00 -6.224855688e+00 -5.654473822e+00 2.52 -7.088838339e+00 -6.383323505e+00 -5.891325265e+00 2.54 -7.100346344e+00 -6.523665652e+00 -6.101219300e+00 2.56 -7.102938003e+00 -6.647081098e+00 -6.285789150e+00 2.58 -7.097353421e+00 -6.754673761e+00 -6.446615797e+00 2.60 -7.084159887e+00 -6.847476595e+00 -6.585241513e+00 2.62 -7.063344418e+00 -6.926461842e+00 -6.703186689e+00 2.64 -7.034660796e+00 -6.992440486e+00 -6.801965180e+00 2.66 -6.997923925e+00 -7.046178510e+00 -6.883093738e+00 2.68 -6.953042844e+00 -7.088552235e+00 -6.948092156e+00 2.70 -6.899949079e+00 -7.120470247e+00 -6.998472581e+00 2.72 -6.838601758e+00 -7.142764712e+00 -7.035705270e+00 2.74 -6.769032802e+00 -7.156180799e+00 -7.060939321e+00 2.76 -6.691341642e+00 -7.161387415e+00 -7.075655072e+00 2.78 -6.605684587e+00 -7.158986431e+00 -7.081373314e+00 2.80 -6.512259542e+00 -7.149518257e+00 -7.079434260e+00 2.82 -6.411288591e+00 -7.133310207e+00 -7.070995454e+00 2.84 -6.302996574e+00 -7.110428019e+00 -7.057040866e+00 2.86 -6.187557275e+00 -7.080877692e+00 -7.038397233e+00 2.88 -6.065115688e+00 -7.044622123e+00 -7.015752363e+00 2.90 -5.935816641e+00 -7.001682045e+00 -6.989475502e+00 2.92 -5.799809266e+00 -6.952140863e+00 -6.959457312e+00 2.94 -5.657259046e+00 -6.896160004e+00 -6.925601242e+00 2.96 -5.508367691e+00 -6.833877662e+00 -6.887876093e+00 2.98 -5.353399643e+00 -6.765455816e+00 -6.846300235e+00 3.00 -5.192712649e+00 -6.691084148e+00 -6.800959187e+00 3.02 -5.026788460e+00 -6.610969343e+00 -6.751925834e+00 3.04 -4.856258713e+00 -6.525324833e+00 -6.699273239e+00 3.06 -4.681920584e+00 -6.434361802e+00 -6.643093463e+00 3.08 -4.504737120e+00 -6.338282512e+00 -6.583489834e+00 3.10 -4.325818558e+00 -6.237262217e+00 -6.520569529e+00 3.12 -4.146383509e+00 -6.131409892e+00 -6.454436713e+00 3.14 -3.967702272e+00 -6.020827268e+00 -6.385186522e+00 3.16 -3.791028192e+00 -5.905634445e+00 -6.312900175e+00 3.18 -3.617525846e+00 -5.785983219e+00 -6.237636327e+00 3.20 -3.448206036e+00 -5.662072089e+00 -6.159399939e+00 3.22 -3.283876702e+00 -5.534160631e+00 -6.078167222e+00 3.24 -3.125116018e+00 -5.402580758e+00 -5.993903673e+00 3.26 -2.972269944e+00 -5.267742442e+00 -5.906565300e+00 3.28 -2.825472373e+00 -5.130131910e+00 -5.816101056e+00 3.30 -2.684682688e+00 -4.990301198e+00 -5.722456067e+00 3.32 -2.549733644e+00 -4.848849082e+00 -5.625575129e+00 3.34 -2.420381998e+00 -4.706394860e+00 -5.525405979e+00 3.36 -2.296355137e+00 -4.563547630e+00 -5.421901860e+00 3.38 -2.177388619e+00 -4.420874623e+00 -5.315023062e+00 3.40 -2.063251575e+00 -4.278872306e+00 -5.204737268e+00 3.42 -1.953759108e+00 -4.137943488e+00 -5.091018752e+00 3.44 -1.848772704e+00 -3.998382670e+00 -4.973846668e+00 3.46 -1.748191210e+00 -3.860370515e+00 -4.853202830e+00 3.48 -1.651935831e+00 -3.723977145e+00 -4.729069508e+00 3.50 -1.559932903e+00 -3.589172937e+00 -4.601427856e+00 3.52 -1.472097876e+00 -3.455845058e+00 -4.470257636e+00 3.54 -1.388323127e+00 -3.323817782e+00 -4.335538940e+00 3.56 -1.308471137e+00 -3.192874906e+00 -4.197256569e+00 3.58 -1.232373470e+00 -3.062782892e+00 -4.055407583e+00 3.60 -1.159834990e+00 -2.933313757e+00 -3.910012298e+00 3.62 -1.090642143e+00 -2.804267031e+00 -3.761128604e+00 3.64 -1.024573749e+00 -2.675490232e+00 -3.608869011e+00 3.66 -9.614127371e-01 -2.546897330e+00 -3.453419373e+00 3.68 -9.009574134e-01 -2.418484545e+00 -3.295057757e+00 3.70 -8.430311086e-01 -2.290342673e+00 -3.134171547e+00 3.72 -7.874894038e-01 -2.162664983e+00 -2.971270648e+00 3.74 -7.342244243e-01 -2.035749671e+00 -2.806994588e+00 3.76 -6.831659952e-01 -1.909996025e+00 -2.642111536e+00 3.78 -6.342797234e-01 -1.785893758e+00 -2.477507795e+00 3.80 -5.875623144e-01 -1.664005536e+00 -2.314167188e+00 3.82 -5.430346527e-01 -1.544943433e+00 -2.153140845e+00 3.84 -5.007333513e-01 -1.429340772e+00 -1.995509135e+00 3.86 -4.607015886e-01 -1.317821471e+00 -1.842338586e+00 3.88 -4.229800826e-01 -1.210969419e+00 -1.694637451e+00 3.90 -3.875989906e-01 -1.109300499e+00 -1.553313888e+00 3.92 -3.545713680e-01 -1.013239576e+00 -1.419140439e+00 3.94 -3.238886057e-01 -9.231041595e-01 -1.292727735e+00 3.96 -2.955180076e-01 -8.390956506e-01 -1.174509139e+00 3.98 -2.694024374e-01 -7.612981799e-01 -1.064736728e+00 4.00 -2.454617583e-01 -6.896842924e-01 -9.634877837e-01 4.02 -2.235956377e-01 -6.241261365e-01 -8.706799578e-01 4.04 -2.036871558e-01 -5.644105113e-01 -7.860927411e-01 4.06 -1.856074856e-01 -5.102560627e-01 -7.093926528e-01 4.08 -1.692198454e-01 -4.613310755e-01 -6.401597429e-01 4.10 -1.543834863e-01 -4.172705939e-01 -5.779133999e-01 4.12 -1.409573175e-01 -3.776919594e-01 -5.221359729e-01 4.14 -1.288029567e-01 -3.422081932e-01 -4.722932605e-01 4.16 -1.177871797e-01 -3.104389649e-01 -4.278514074e-01 4.18 -1.077838061e-01 -2.820191082e-01 -3.882901354e-01 4.20 -9.867509020e-02 -2.566048049e-01 -3.531125232e-01 4.22 -9.035271420e-02 -2.338776539e-01 -3.218517182e-01 4.24 -8.271847148e-02 -2.135468837e-01 -2.940750578e-01 4.26 -7.568473216e-02 -1.953499907e-01 -2.693860950e-01 4.28 -6.917474016e-02 -1.790520924e-01 -2.474250017e-01 4.30 -6.312277453e-02 -1.644442994e-01 -2.278677729e-01 4.32 -5.747418335e-02 -1.513414144e-01 -2.104245914e-01 4.34 -5.218522676e-02 -1.395792681e-01 -1.948376452e-01 4.36 -4.722266970e-02 -1.290119836e-01 -1.808786304e-01 4.38 -4.256305607e-02 -1.195093915e-01 -1.683461121e-01 4.40 -3.819157143e-02 -1.109547891e-01 -1.570628737e-01 4.42 -3.410051089e-02 -1.032431056e-01 -1.468733421e-01 4.44 -3.028739647e-02 -9.627944827e-02 -1.376411480e-01 4.46 -2.675287102e-02 -8.997790479e-02 -1.292468594e-01 4.48 -2.349809151e-02 -8.426110050e-02 -1.215859052e-01 4.50 -2.052370797e-02 -7.905915069e-02 -1.145666356e-01 4.52 -1.782830907e-02 -7.430917216e-02 -1.081086511e-01 4.54 -1.540685931e-02 -6.995513370e-02 -1.021415921e-01 4.56 -1.325032821e-02 -6.594690572e-02 -9.660353320e-02 4.58 -1.134585909e-02 -6.223978886e-02 -9.143985284e-02 4.60 -9.677354607e-03 -5.879404198e-02 -8.660226546e-02 4.62 -8.226320272e-03 -5.557441222e-02 -8.204799439e-02 4.64 -6.972807339e-03 -5.254968579e-02 -7.773907998e-02 4.66 -5.896323555e-03 -4.969228020e-02 -7.364181256e-02 4.68 -4.976621960e-03 -4.697789272e-02 -6.972629209e-02 4.70 -4.194320331e-03 -4.438521258e-02 -6.596610816e-02 4.72 -3.531339280e-03 -4.189570363e-02 -6.233813184e-02 4.74 -2.971171799e-03 -3.949345830e-02 -5.882241323e-02 4.76 -2.499011060e-03 -3.716511926e-02 -5.540217346e-02 4.78 -2.101768449e-03 -3.489985848e-02 -5.206387316e-02 4.80 -1.768013347e-03 -3.268940124e-02 -4.879733453e-02 4.82 -1.487862081e-03 -3.052806806e-02 -4.559588299e-02 4.84 -1.252838080e-03 -2.841280416e-02 -4.245645747e-02 4.86 -1.055719727e-03 -2.634316864e-02 -3.937964823e-02 4.88 -8.903875406e-04 -2.432124317e-02 -3.636960705e-02 4.90 -7.516782062e-04 -2.235142953e-02 -3.343378262e-02 4.92 -6.352498871e-04 -2.044011410e-02 -3.058244981e-02 4.94 -5.374610754e-04 -1.859519452e-02 -2.782802654e-02 4.96 -4.552636478e-04 -1.682535620e-02 -2.518406498e-02 4.98 -3.861098036e-04 -1.513949266e-02 -2.266422072e-02 5.00 -3.278719925e-04 -1.354633469e-02 -2.028189720e-02 5.02 -2.787746238e-04 -1.205347693e-02 -1.804875850e-02 5.04 -2.373362169e-04 -1.066682396e-02 -1.597388458e-02 5.06 -2.023206547e-04 -9.390207735e-03 -1.406320621e-02 5.08 -1.726962881e-04 -8.225196973e-03 -1.231922644e-02 5.10 -1.476017331e-04 -7.171099227e-03 -1.074102958e-02 5.12 -1.263173343e-04 -6.225131541e-03 -9.324542164e-03 5.14 -1.082414005e-04 -5.382718402e-03 -8.062983882e-03 5.16 -9.287044103e-05 -4.637867641e-03 -6.947434735e-03 5.18 -7.978274141e-05 -3.983575913e-03 -5.967445942e-03 5.20 -6.862472133e-05 -3.412222984e-03 -5.111633566e-03 5.22 -5.909960619e-05 -2.915925281e-03 -4.368210621e-03 5.24 -5.095801963e-05 -2.486831065e-03 -3.725431283e-03 5.26 -4.399016808e-05 -2.117350213e-03 -3.171936739e-03 5.28 -3.801934581e-05 -1.800319677e-03 -2.697004331e-03 5.30 -3.289653435e-05 -1.529111063e-03 -2.290709717e-03 5.32 -2.849590823e-05 -1.297689654e-03 -1.944016030e-03 5.34 -2.471109196e-05 -1.100635093e-03 -1.648805438e-03 5.36 -2.145204011e-05 -9.331335914e-04 -1.397867876e-03 5.38 -1.864243419e-05 -7.909503343e-04 -1.184860008e-03 5.40 -1.621750826e-05 -6.703892618e-04 -1.004245196e-03 5.42 -1.412223092e-05 -5.682458548e-04 -8.512229111e-04 5.44 -1.230978357e-05 -4.817571061e-04 -7.216538919e-04 5.46 -1.074028517e-05 -4.085516415e-04 -6.119854920e-04 5.48 -9.379722179e-06 -3.466019620e-04 -5.191801785e-04 5.50 -8.199049808e-06 -2.941800168e-04 -4.406490062e-04 5.52 -7.173436196e-06 -2.498167528e-04 -3.741910354e-04 5.54 -6.281625885e-06 -2.122658849e-04 -3.179389546e-04 5.56 -5.505403235e-06 -1.804718638e-04 -2.703115639e-04 5.58 -4.829139523e-06 -1.535418415e-04 -2.299710551e-04 5.60 -4.239410153e-06 -1.307213376e-04 -1.957870568e-04 5.62 -3.724670765e-06 -1.113732569e-04 -1.668050696e-04 5.64 -3.274982845e-06 -9.495989384e-05 -1.422195046e-04 5.66 -2.881780993e-06 -8.102756512e-05 -1.213506604e-04 5.68 -2.537675260e-06 -6.919353333e-05 -1.036251303e-04 5.70 -2.236283104e-06 -5.913491160e-05 -8.855917916e-05 5.72 -1.972086336e-06 -5.057927059e-05 -7.574466961e-05 5.74 -1.740309204e-06 -4.329670100e-05 -6.483716945e-05 5.76 -1.536814372e-06 -3.709311568e-05 -5.554591614e-05 5.78 -1.358014056e-06 -3.180460377e-05 -4.762535773e-05 5.80 -1.200794042e-06 -2.729267569e-05 -4.086802844e-05 5.82 -1.062448624e-06 -2.344026051e-05 -3.509855156e-05 5.84 -9.406248452e-07 -2.014833805e-05 -3.016859344e-05 5.86 -8.332746580e-07 -1.733310553e-05 -2.595261832e-05 5.88 -7.386138280e-07 -1.492359409e-05 -2.234431733e-05 5.90 -6.550866003e-07 -1.285966363e-05 -1.925360426e-05 5.92 -5.813352872e-07 -1.109031562e-05 -1.660408777e-05 5.94 -5.161740636e-07 -9.572273059e-06 -1.433094387e-05 5.96 -4.585663651e-07 -8.268784883e-06 -1.237912469e-05 5.98 -4.076053758e-07 -7.148618967e-06 -1.070184983e-05 6.00 -3.624971668e-07 -6.185213534e-06 -9.259335072e-06