# 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 = NiTa3 # 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 3.531480922e+02 nan nan 1.16 3.246873916e+02 nan nan 1.18 2.985535837e+02 nan nan 1.20 2.745444188e+02 nan nan 1.22 2.524797659e+02 nan nan 1.24 2.321949003e+02 nan nan 1.26 2.135364042e+02 nan nan 1.28 1.963619300e+02 3.056018704e+02 3.510172600e+02 1.30 1.805418173e+02 2.828938694e+02 3.256369933e+02 1.32 1.659598477e+02 2.618854176e+02 3.021269119e+02 1.34 1.525119834e+02 2.424418728e+02 2.803373313e+02 1.36 1.401039063e+02 2.244411431e+02 2.601340871e+02 1.38 1.286489243e+02 2.077717365e+02 2.413952545e+02 1.40 1.180669928e+02 1.923312972e+02 2.240075231e+02 1.42 1.082845679e+02 1.780253873e+02 2.078639057e+02 1.44 9.923485516e+01 1.647660589e+02 1.928633667e+02 1.46 9.085813236e+01 1.524703371e+02 1.789120314e+02 1.48 8.310170628e+01 1.410592517e+02 1.659249184e+02 1.50 7.591918533e+01 1.304579257e+02 1.538269160e+02 1.52 6.926921201e+01 1.205966371e+02 1.425523344e+02 1.54 6.311409244e+01 1.114122108e+02 1.320433234e+02 1.56 5.741867899e+01 1.028489449e+02 1.222479776e+02 1.58 5.214963995e+01 9.485862462e+01 1.131188045e+02 1.60 4.727510640e+01 8.739973030e+01 1.046117396e+02 1.62 4.276461814e+01 8.043626216e+01 9.668552817e+01 1.64 3.858925251e+01 7.393655056e+01 8.930122631e+01 1.66 3.472184406e+01 6.787221926e+01 8.242171128e+01 1.68 3.113727109e+01 6.221735483e+01 7.601127629e+01 1.70 2.781278328e+01 5.694788540e+01 7.003547845e+01 1.72 2.472825715e+01 5.204112676e+01 6.446135601e+01 1.74 2.186622077e+01 4.747544064e+01 5.925795159e+01 1.76 1.921192319e+01 4.322998327e+01 5.439689877e+01 1.78 1.676348258e+01 3.928455689e+01 4.985279675e+01 1.80 1.451318117e+01 3.561957521e+01 4.560323492e+01 1.82 1.244832662e+01 3.221612017e+01 4.162851394e+01 1.84 1.055683735e+01 2.905603395e+01 3.791121235e+01 1.86 8.827061861e+00 2.612198579e+01 3.443573609e+01 1.88 7.247742980e+00 2.339748643e+01 3.118791789e+01 1.90 5.808069611e+00 2.086686648e+01 2.815467637e+01 1.92 4.497746871e+00 1.851602658e+01 2.532373183e+01 1.94 3.307039203e+00 1.634019733e+01 2.268338734e+01 1.96 2.226764132e+00 1.433116033e+01 2.022238896e+01 1.98 1.248234792e+00 1.247580293e+01 1.793224748e+01 2.00 3.631660308e-01 1.076176810e+01 1.581251417e+01 2.02 -4.364269821e-01 9.177687454e+00 1.385331329e+01 2.04 -1.158298481e+00 7.713254230e+00 1.204409656e+01 2.06 -1.809972959e+00 6.359269719e+00 1.037495240e+01 2.08 -2.398661923e+00 5.107626407e+00 8.836571514e+00 2.10 -2.931116698e+00 3.951218617e+00 7.420147202e+00 2.12 -3.413465583e+00 2.883798388e+00 6.117250808e+00 2.14 -3.851088366e+00 1.899809823e+00 4.919708599e+00 2.16 -4.248563004e+00 9.942323142e-01 3.819508286e+00 2.18 -4.609691964e+00 1.624487862e-01 2.808760632e+00 2.20 -4.937592831e+00 -5.998593510e-01 1.879735164e+00 2.22 -5.234825699e+00 -1.296796873e+00 1.024974958e+00 2.24 -5.503528424e+00 -1.932326398e+00 2.374728224e-01 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-6.652790292e+00 2.62 -7.053163683e+00 -6.968030244e+00 -6.759663990e+00 2.64 -7.024027968e+00 -7.028554302e+00 -6.848392492e+00 2.66 -6.987555329e+00 -7.077247139e+00 -6.920554032e+00 2.68 -6.943598809e+00 -7.114932446e+00 -6.977699270e+00 2.70 -6.892053012e+00 -7.142500250e+00 -7.021338251e+00 2.72 -6.832859976e+00 -7.160801210e+00 -7.052888520e+00 2.74 -6.766012296e+00 -7.170622093e+00 -7.073450387e+00 2.76 -6.691553552e+00 -7.172684102e+00 -7.084501649e+00 2.78 -6.609574749e+00 -7.167640140e+00 -7.087474019e+00 2.80 -6.520206595e+00 -7.156070430e+00 -7.083608939e+00 2.82 -6.423608404e+00 -7.138325057e+00 -7.073956808e+00 2.84 -6.319911281e+00 -7.114480526e+00 -7.059387288e+00 2.86 -6.209170189e+00 -7.084543831e+00 -7.040608605e+00 2.88 -6.091451234e+00 -7.048454370e+00 -7.018190303e+00 2.90 -5.966838405e+00 -7.006194890e+00 -6.992371638e+00 2.92 -5.835434402e+00 -6.957797777e+00 -6.962971441e+00 2.94 -5.697369609e+00 -6.903337398e+00 -6.929850131e+00 2.96 -5.552818908e+00 -6.842924372e+00 -6.892945706e+00 2.98 -5.402024990e+00 -6.776698195e+00 -6.852257848e+00 3.00 -5.245325726e+00 -6.704818217e+00 -6.807834040e+00 3.02 -5.083181975e+00 -6.627455140e+00 -6.759756413e+00 3.04 -4.916201251e+00 -6.544784007e+00 -6.708133355e+00 3.06 -4.745152065e+00 -6.456979464e+00 -6.653090407e+00 3.08 -4.570964006e+00 -6.364210911e+00 -6.594762139e+00 3.10 -4.394709893e+00 -6.266571814e+00 -6.533284984e+00 3.12 -4.217568795e+00 -6.164091020e+00 -6.468790875e+00 3.14 -4.040772034e+00 -6.056821815e+00 -6.401401557e+00 3.16 -3.865537773e+00 -5.944853359e+00 -6.331222892e+00 3.18 -3.693002553e+00 -5.828320164e+00 -6.258298203e+00 3.20 -3.524159269e+00 -5.707412612e+00 -6.182590474e+00 3.22 -3.359810230e+00 -5.582386942e+00 -6.104050685e+00 3.24 -3.200541176e+00 -5.453572790e+00 -6.022622025e+00 3.26 -3.046718403e+00 -5.321376231e+00 -5.938239257e+00 3.28 -2.898507219e+00 -5.186276481e+00 -5.850829798e+00 3.30 -2.755906917e+00 -5.048815046e+00 -5.760316093e+00 3.32 -2.618795669e+00 -4.909577091e+00 -5.666618651e+00 3.34 -2.486978306e+00 -4.769166137e+00 -5.569659074e+00 3.36 -2.360230687e+00 -4.628174401e+00 -5.469362425e+00 3.38 -2.238335769e+00 -4.487152017e+00 -5.365658529e+00 3.40 -2.121108335e+00 -4.346578717e+00 -5.258482019e+00 3.42 -2.008407269e+00 -4.206841194e+00 -5.147771272e+00 3.44 -1.900136045e+00 -4.068218435e+00 -5.033466613e+00 3.46 -1.796233642e+00 -3.930876113e+00 -4.915508378e+00 3.48 -1.696659110e+00 -3.794869852e+00 -4.793835538e+00 3.50 -1.601373481e+00 -3.660156205e+00 -4.668385602e+00 3.52 -1.510322581e+00 -3.526609610e+00 -4.539096446e+00 3.54 -1.423423573e+00 -3.394043362e+00 -4.405910556e+00 3.56 -1.340557026e+00 -3.262232807e+00 -4.268782024e+00 3.58 -1.261565129e+00 -3.130939267e+00 -4.127686361e+00 3.60 -1.186255621e+00 -2.999933573e+00 -3.982633023e+00 3.62 -1.114410249e+00 -2.869018415e+00 -3.833680263e+00 3.64 -1.045796160e+00 -2.738048920e+00 -3.680951674e+00 3.66 -9.801785331e-01 -2.606950966e+00 -3.524653507e+00 3.68 -9.173329369e-01 -2.475736652e+00 -3.365091513e+00 3.70 -8.570561743e-01 -2.344516291e+00 -3.202685769e+00 3.72 -7.991747395e-01 -2.213506096e+00 -3.037981672e+00 3.74 -7.435503677e-01 -2.083030681e+00 -2.871655171e+00 3.76 -6.900824834e-01 -1.953519553e+00 -2.704510435e+00 3.78 -6.387076455e-01 -1.825496993e+00 -2.537468543e+00 3.80 -5.893963389e-01 -1.699565167e+00 -2.371546538e+00 3.82 -5.421476713e-01 -1.576380934e+00 -2.207827224e+00 3.84 -4.969826783e-01 -1.456627521e+00 -2.047421223e+00 3.86 -4.539370053e-01 -1.340982945e+00 -1.891423990e+00 3.88 -4.130536956e-01 -1.230087606e+00 -1.740871279e+00 3.90 -3.743766831e-01 -1.124513752e+00 -1.596696993e+00 3.92 -3.379453663e-01 -1.024739425e+00 -1.459697123e+00 3.94 -3.037903875e-01 -9.311290258e-01 -1.330502785e+00 3.96 -2.719305098e-01 -8.439218663e-01 -1.209564170e+00 3.98 -2.423703399e-01 -7.632291129e-01 -1.097145949e+00 4.00 -2.150986181e-01 -6.890385881e-01 -9.933333460e-01 4.02 -1.900868535e-01 -6.212261058e-01 -8.980471426e-01 4.04 -1.672881573e-01 -5.595715243e-01 -8.110652121e-01 4.06 -1.466373551e-01 -5.037775312e-01 -7.320479928e-01 4.08 -1.280507809e-01 -4.534892914e-01 -6.605654463e-01 4.10 -1.114273606e-01 -4.083134146e-01 -5.961234384e-01 4.12 -9.665082452e-02 -3.678351300e-01 -5.381880073e-01 4.14 -8.359282318e-02 -3.316329895e-01 -4.862065369e-01 4.16 -7.211669928e-02 -2.992908216e-01 -4.396253529e-01 4.18 -6.208152603e-02 -2.704069481e-01 -3.979036684e-01 4.20 -5.334607674e-02 -2.446008912e-01 -3.605240953e-01 4.22 -4.577239292e-02 -2.215179154e-01 -3.270001253e-01 4.24 -3.922870643e-02 -2.008317991e-01 -2.968810718e-01 4.26 -3.359156068e-02 -1.822462268e-01 -2.697549842e-01 4.28 -2.874722642e-02 -1.654951563e-01 -2.452500105e-01 4.30 -2.459211083e-02 -1.503424584e-01 -2.230346174e-01 4.32 -2.103321141e-02 -1.365810490e-01 -2.028169865e-01 4.34 -1.798902025e-02 -1.240316784e-01 -1.843438144e-01 4.36 -1.538760903e-02 -1.125414729e-01 -1.673986482e-01 4.38 -1.316600710e-02 -1.019822508e-01 -1.517998102e-01 4.40 -1.126947362e-02 -9.224859308e-02 -1.373979060e-01 4.42 -9.650688356e-03 -8.325566141e-02 -1.240728827e-01 4.44 -8.268926462e-03 -7.493669289e-02 -1.117306104e-01 4.46 -7.089260585e-03 -6.723994556e-02 -1.002990077e-01 4.48 -6.081815857e-03 -6.012678776e-02 -8.972379656e-02 4.50 -5.221091083e-03 -5.356796276e-02 -7.996398313e-02 4.52 -4.485351350e-03 -4.754042454e-02 -7.098746865e-02 4.54 -3.856091826e-03 -4.202462566e-02 -6.276733213e-02 4.56 -3.317569125e-03 -3.700217664e-02 -5.527797997e-02 4.58 -2.856395055e-03 -3.245404191e-02 -4.849247934e-02 4.60 -2.461186512e-03 -2.835931542e-02 -4.238082093e-02 4.62 -2.122265195e-03 -2.469461276e-02 -3.690903859e-02 4.64 -1.831400966e-03 -2.143400475e-02 -3.203914864e-02 4.66 -1.581593136e-03 -1.854902390e-02 -2.772967044e-02 4.68 -1.366884447e-03 -1.600993414e-02 -2.393600628e-02 4.70 -1.182203112e-03 -1.378659161e-02 -2.061323965e-02 4.72 -1.023228821e-03 -1.184867134e-02 -1.771646997e-02 4.74 -8.862791635e-04 -1.016644617e-02 -1.520154528e-02 4.76 -7.682134063e-04 -8.711424603e-03 -1.302606018e-02 4.78 -6.663509762e-04 -7.456826671e-03 -1.115009896e-02 4.80 -5.784024150e-04 -6.377899696e-03 -9.536730581e-03 4.82 -5.024108842e-04 -5.452092291e-03 -8.152283326e-03 4.84 -4.367025943e-04 -4.659108353e-03 -6.966438188e-03 4.86 -3.798447801e-04 -3.980872261e-03 -5.952182899e-03 4.88 -3.306100598e-04 -3.401427864e-03 -5.085666144e-03 4.90 -2.879461893e-04 -2.906795014e-03 -4.345986284e-03 4.92 -2.509503802e-04 -2.484801659e-03 -3.714942413e-03 4.94 -2.188474801e-04 -2.124905572e-03 -3.176769134e-03 4.96 -1.909714201e-04 -1.818015888e-03 -2.717870542e-03 4.98 -1.667494314e-04 -1.556321433e-03 -2.326564042e-03 5.00 -1.456886055e-04 -1.333130260e-03 -1.992840686e-03 5.02 -1.273644440e-04 -1.142722819e-03 -1.708145784e-03 5.04 -1.114110937e-04 -9.802198315e-04 -1.465181391e-03 5.06 -9.751301505e-05 -8.414649046e-04 -1.257730810e-03 5.08 -8.539786610e-05 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-8.579905719e-06 -5.426310668e-05 -8.105470416e-05 5.46 -7.586333339e-06 -4.735898371e-05 -7.073985150e-05 5.48 -6.710797690e-06 -4.136471864e-05 -6.178462025e-05 5.50 -5.938912906e-06 -3.615622446e-05 -5.400354360e-05 5.52 -5.258091832e-06 -3.162690281e-05 -4.723730006e-05 5.54 -4.657315289e-06 -2.768510201e-05 -4.134881403e-05 5.56 -4.126931716e-06 -2.425195503e-05 -3.622042824e-05 5.58 -3.658483070e-06 -2.125953922e-05 -3.175052505e-05 5.60 -3.244553461e-06 -1.864930874e-05 -2.785161483e-05 5.62 -2.878637474e-06 -1.637075828e-05 -2.444822609e-05 5.64 -2.555025550e-06 -1.438028286e-05 -2.147520100e-05 5.66 -2.268704168e-06 -1.264020438e-05 -1.887623998e-05 5.68 -2.015268855e-06 -1.111793964e-05 -1.660265798e-05 5.70 -1.790848349e-06 -9.785288785e-06 -1.461232088e-05 5.72 -1.592038436e-06 -8.617826302e-06 -1.286873501e-05 5.74 -1.415844203e-06 -7.594379203e-06 -1.134026724e-05 5.76 -1.259629608e-06 -6.696579673e-06 -9.999476334e-06 5.78 -1.121073419e-06 -5.908481187e-06 -8.822539120e-06 5.80 -9.981306921e-07 -5.216228831e-06 -7.788757793e-06 5.82 -8.889990841e-07 -4.607775939e-06 -6.880136403e-06 5.84 -7.920893676e-07 -4.072640347e-06 -6.081016581e-06 5.86 -7.059996205e-07 -3.601694548e-06 -5.377763935e-06 5.88 -6.294926161e-07 -3.186984900e-06 -4.758497876e-06 5.90 -5.614760081e-07 -2.821575724e-06 -4.212858652e-06 5.92 -5.009849577e-07 -2.499414777e-06 -3.731806321e-06 5.94 -4.471668931e-07 -2.215217066e-06 -3.307447142e-06 5.96 -3.992681344e-07 -1.964364434e-06 -2.932883537e-06 5.98 -3.566221504e-07 -1.742818701e-06 -2.602084312e-06 6.00 -3.186392423e-07 -1.547046482e-06 -2.309772327e-06