# 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 = CuW3 # 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 4.204519374e+02 nan nan 1.16 3.844288751e+02 nan nan 1.18 3.515318360e+02 nan nan 1.20 3.214629673e+02 nan nan 1.22 2.939590390e+02 nan nan 1.24 2.687816010e+02 nan nan 1.26 2.457107651e+02 nan nan 1.28 2.245448802e+02 3.596085647e+02 4.176081876e+02 1.30 2.051037347e+02 3.311918504e+02 3.854734849e+02 1.32 1.872315121e+02 3.050610747e+02 3.558243546e+02 1.34 1.707966544e+02 2.810101972e+02 3.284265390e+02 1.36 1.556882224e+02 2.588418422e+02 3.030776269e+02 1.38 1.418103309e+02 2.383719822e+02 2.796086191e+02 1.40 1.290764657e+02 2.194362401e+02 2.578779956e+02 1.42 1.174048948e+02 2.018941192e+02 2.377627401e+02 1.44 1.067157612e+02 1.856287631e+02 2.191510900e+02 1.46 9.692988772e+01 1.705427549e+02 2.019385263e+02 1.48 8.796907982e+01 1.565525090e+02 1.860258152e+02 1.50 7.975763246e+01 1.435837395e+02 1.713177530e+02 1.52 7.222452305e+01 1.315689756e+02 1.577223324e+02 1.54 6.530554707e+01 1.204465705e+02 1.451506729e+02 1.56 5.894474115e+01 1.101601605e+02 1.335179636e+02 1.58 5.309476898e+01 1.006579707e+02 1.227451981e+02 1.60 4.771626526e+01 9.189191512e+01 1.127609290e+02 1.62 4.277634133e+01 8.381661485e+01 1.035021240e+02 1.64 3.824661462e+01 7.638842710e+01 9.491369070e+01 1.66 3.410124816e+01 6.956459208e+01 8.694700247e+01 1.68 3.031544819e+01 6.330263278e+01 7.955820280e+01 1.70 2.686461886e+01 5.756008154e+01 7.270697526e+01 1.72 2.372409998e+01 5.229452354e+01 6.635601716e+01 1.74 2.086977704e+01 4.746392150e+01 6.047101063e+01 1.76 1.827968896e+01 4.302719639e+01 5.502071311e+01 1.78 1.593063962e+01 3.894503330e+01 4.997689010e+01 1.80 1.380008643e+01 3.518084536e+01 4.531400097e+01 1.82 1.186646320e+01 3.170176194e+01 4.100869068e+01 1.84 1.010924247e+01 2.847943133e+01 3.703920684e+01 1.86 8.509121226e+00 2.549040389e+01 3.338484816e+01 1.88 7.048237412e+00 2.271596817e+01 3.002548564e+01 1.90 5.710518335e+00 2.014250219e+01 2.694114872e+01 1.92 4.481977835e+00 1.775926527e+01 2.411167706e+01 1.94 3.350853955e+00 1.555622425e+01 2.151649549e+01 1.96 2.307553087e+00 1.352415839e+01 1.913591085e+01 1.98 1.344427223e+00 1.165409661e+01 1.694977118e+01 2.00 4.554347896e-01 9.937031027e+00 1.493734238e+01 2.02 -3.642575930e-01 8.363693116e+00 1.307914369e+01 2.04 -1.118670236e+00 6.924499394e+00 1.135775494e+01 2.06 -1.811346015e+00 5.609580976e+00 9.758536350e+00 2.08 -2.445593317e+00 4.408879990e+00 8.269794673e+00 2.10 -3.024632960e+00 3.312315824e+00 6.882601218e+00 2.12 -3.551667153e+00 2.310018406e+00 5.590321067e+00 2.14 -4.029896068e+00 1.392604117e+00 4.388000712e+00 2.16 -4.462504796e+00 5.514464834e-01 3.271756269e+00 2.18 -4.852636343e+00 -2.211152740e-01 2.238257214e+00 2.20 -5.203359084e+00 -9.316735337e-01 1.284349561e+00 2.22 -5.517632201e+00 -1.585768761e+00 4.068231736e-01 2.24 -5.798270891e+00 -2.188006248e+00 -3.976971192e-01 2.26 -6.047913843e+00 -2.742233689e+00 -1.132770837e+00 2.28 -6.268996589e+00 -3.251735741e+00 -1.802110248e+00 2.30 -6.463733876e+00 -3.719408827e+00 -2.409531631e+00 2.32 -6.634111965e+00 -4.147892312e+00 -2.958911282e+00 2.34 -6.781864595e+00 -4.539647576e+00 -3.454154572e+00 2.36 -6.908271045e+00 -4.896991976e+00 -3.899175950e+00 2.38 -7.014843193e+00 -5.222105393e+00 -4.297882583e+00 2.40 -7.103001969e+00 -5.517028484e+00 -4.654153277e+00 2.42 -7.173958398e+00 -5.783664662e+00 -4.971806432e+00 2.44 -7.228744529e+00 -6.023788143e+00 -5.254554886e+00 2.46 -7.268245427e+00 -6.239054398e+00 -5.505950732e+00 2.48 -7.293231126e+00 -6.431008587e+00 -5.729327765e+00 2.50 -7.304161285e+00 -6.601089948e+00 -5.927751317e+00 2.52 -7.300518003e+00 -6.750631115e+00 -6.103983678e+00 2.54 -7.281700129e+00 -6.880718373e+00 -6.260468736e+00 2.56 -7.247313959e+00 -6.992512216e+00 -6.399334259e+00 2.58 -7.197151179e+00 -7.087147535e+00 -6.522407056e+00 2.60 -7.131166095e+00 -7.165677802e+00 -6.631228735e+00 2.62 -7.049454268e+00 -7.229144252e+00 -6.726861887e+00 2.64 -6.952237080e+00 -7.278500832e+00 -6.810499855e+00 2.66 -6.839857113e+00 -7.314635622e+00 -6.883300992e+00 2.68 -6.712787515e+00 -7.338389819e+00 -6.946231678e+00 2.70 -6.571655581e+00 -7.350369496e+00 -7.000114434e+00 2.72 -6.417277424e+00 -7.350701452e+00 -7.045667486e+00 2.74 -6.250924229e+00 -7.339519725e+00 -7.083533611e+00 2.76 -6.073845400e+00 -7.316916364e+00 -7.114297775e+00 2.78 -5.887268815e+00 -7.282906933e+00 -7.138298281e+00 2.80 -5.692730741e+00 -7.237583712e+00 -7.155300391e+00 2.82 -5.492018578e+00 -7.181114988e+00 -7.165081789e+00 2.84 -5.287080715e+00 -7.113741072e+00 -7.167518730e+00 2.86 -5.079915730e+00 -7.035778401e+00 -7.162550302e+00 2.88 -4.872498910e+00 -6.947628803e+00 -7.150149200e+00 2.90 -4.666636677e+00 -6.849790220e+00 -7.130298334e+00 2.92 -4.463835315e+00 -6.742864857e+00 -7.102972805e+00 2.94 -4.265246147e+00 -6.627562645e+00 -7.068127013e+00 2.96 -4.071655806e+00 -6.504969544e+00 -7.025686722e+00 2.98 -3.883517890e+00 -6.375831720e+00 -6.975545934e+00 3.00 -3.701015917e+00 -6.240654532e+00 -6.917568266e+00 3.02 -3.524143539e+00 -6.100040726e+00 -6.851592291e+00 3.04 -3.352787292e+00 -5.954641447e+00 -6.777440031e+00 3.06 -3.186799323e+00 -5.805104991e+00 -6.695006080e+00 3.08 -3.026051312e+00 -5.652045910e+00 -6.604287920e+00 3.10 -2.870465384e+00 -5.496041948e+00 -6.504875615e+00 3.12 -2.720022237e+00 -5.337548350e+00 -6.396374957e+00 3.14 -2.574750377e+00 -5.176873025e+00 -6.278448973e+00 3.16 -2.434702870e+00 -5.014182485e+00 -6.150818835e+00 3.18 -2.299929032e+00 -4.849520298e+00 -6.013264694e+00 3.20 -2.170448032e+00 -4.682835113e+00 -5.865632331e+00 3.22 -2.046229744e+00 -4.514015152e+00 -5.707880624e+00 3.24 -1.927185812e+00 -4.342926381e+00 -5.540069340e+00 3.26 -1.813171480e+00 -4.169452028e+00 -5.362347452e+00 3.28 -1.703996662e+00 -3.993531569e+00 -5.174975341e+00 3.30 -1.599443452e+00 -3.815197445e+00 -4.978352231e+00 3.32 -1.499286684e+00 -3.634607735e+00 -4.773046158e+00 3.34 -1.403314290e+00 -3.452072784e+00 -4.559823082e+00 3.36 -1.311344706e+00 -3.268073567e+00 -4.339670924e+00 3.38 -1.223239375e+00 -3.083269538e+00 -4.113813864e+00 3.40 -1.138909215e+00 -2.898494007e+00 -3.883712442e+00 3.42 -1.058314730e+00 -2.714735835e+00 -3.651045918e+00 3.44 -9.814602158e-01 -2.533107415e+00 -3.417675051e+00 3.46 -9.083830776e-01 -2.354800417e+00 -3.185585786e+00 3.48 -8.391397987e-01 -2.181032402e+00 -2.956817010e+00 3.50 -7.737903388e-01 -2.012988752e+00 -2.733378081e+00 3.52 -7.123827951e-01 -1.851765278e+00 -2.517163671e+00 3.54 -6.549399694e-01 -1.698316909e+00 -2.309874202e+00 3.56 -6.014490968e-01 -1.553417129e+00 -2.112949574e+00 3.58 -5.518554713e-01 -1.417631418e+00 -1.927522025e+00 3.60 -5.060601505e-01 -1.291306061e+00 -1.754391299e+00 3.62 -4.639214281e-01 -1.174571834e+00 -1.594022374e+00 3.64 -4.252593960e-01 -1.067360485e+00 -1.446563360e+00 3.66 -3.898627146e-01 -9.694308696e-01 -1.311879260e+00 3.68 -3.574966748e-01 -8.804011290e-01 -1.189596352e+00 3.70 -3.279117246e-01 -7.997834170e-01 -1.079151846e+00 3.72 -3.008516634e-01 -7.270181313e-01 -9.798441211e-01 3.74 -2.760615631e-01 -6.615053235e-01 -8.908798639e-01 3.76 -2.532946913e-01 -6.026317088e-01 -8.114156650e-01 3.78 -2.323179602e-01 -5.497924060e-01 -7.405927171e-01 3.80 -2.129167621e-01 -5.024071338e-01 -6.775642302e-01 3.82 -1.948988151e-01 -4.599310672e-01 -6.215158514e-01 3.84 -1.780970507e-01 -4.218609190e-01 -5.716798212e-01 3.86 -1.623715305e-01 -3.877370700e-01 -5.273438263e-01 3.88 -1.476103130e-01 -3.571427266e-01 -4.878555771e-01 3.90 -1.337291444e-01 -3.297011264e-01 -4.526240953e-01 3.92 -1.206698485e-01 -3.050717432e-01 -4.211185920e-01 3.94 -1.083973509e-01 -2.829462668e-01 -3.928656807e-01 3.96 -9.689541340e-02 -2.630448958e-01 -3.674455254e-01 3.98 -8.616133706e-02 -2.451132277e-01 -3.444873937e-01 4.00 -7.620008804e-02 -2.289198076e-01 -3.236649648e-01 4.02 -6.701843781e-02 -2.142542502e-01 -3.046916468e-01 4.04 -5.861974626e-02 -2.009257714e-01 -2.873160783e-01 4.06 -5.099992390e-02 -1.887619636e-01 -2.713179348e-01 4.08 -4.414490954e-02 -1.776076821e-01 -2.565041087e-01 4.10 -3.802974135e-02 -1.673238908e-01 -2.427053088e-01 4.12 -3.261906564e-02 -1.577865815e-01 -2.297730989e-01 4.14 -2.786873388e-02 -1.488860370e-01 -2.175773826e-01 4.16 -2.372754476e-02 -1.405253579e-01 -2.060041796e-01 4.18 -2.014067992e-02 -1.326195510e-01 -1.949542925e-01 4.20 -1.705249264e-02 -1.250952001e-01 -1.843420393e-01 4.22 -1.440752969e-02 -1.178893130e-01 -1.740942069e-01 4.24 -1.215235159e-02 -1.109488572e-01 -1.641495822e-01 4.26 -1.023683125e-02 -1.042304572e-01 -1.544587488e-01 4.28 -8.614969817e-03 -9.770019189e-02 -1.449840752e-01 4.30 -7.245309514e-03 -9.133344557e-02 -1.356997895e-01 4.32 -6.091034728e-03 -8.511473943e-02 -1.265920149e-01 4.34 -5.119849038e-03 -7.903745372e-02 -1.176586170e-01 4.36 -4.303704100e-03 -7.310334465e-02 -1.089087166e-01 4.38 -3.618441750e-03 -6.732177039e-02 -1.003617361e-01 4.40 -3.043395058e-03 -6.170856869e-02 -9.204589599e-02 4.42 -2.560981466e-03 -5.628457526e-02 -8.399614553e-02 4.44 -2.156309355e-03 -5.107382992e-02 -7.625160156e-02 4.46 -1.816811559e-03 -4.610157843e-02 -6.885266030e-02 4.48 -1.531912804e-03 -4.139222621e-02 -6.183801912e-02 4.50 -1.292733817e-03 -3.696742597e-02 -5.524188375e-02 4.52 -1.091831998e-03 -3.284447513e-02 -4.909162720e-02 4.54 -9.229768573e-04 -2.903515851e-02 -4.340610668e-02 4.56 -7.809571638e-04 -2.554511643e-02 -3.819475772e-02 4.58 -6.614167023e-04 -2.237374355e-02 -3.345747872e-02 4.60 -5.607150878e-04 -1.951455891e-02 -2.918521534e-02 4.62 -4.758103830e-04 -1.695578858e-02 -2.536090664e-02 4.64 -4.041604394e-04 -1.468135284e-02 -2.196082777e-02 4.66 -3.436402179e-04 -1.267269968e-02 -1.895751133e-02 4.68 -2.924726478e-04 -1.090915859e-02 -1.632028201e-02 4.70 -2.491708942e-04 -9.368931996e-03 -1.401671354e-02 4.72 -2.124902088e-04 -8.029983572e-03 -1.201397281e-02 4.74 -1.813878112e-04 -6.870744609e-03 -1.027988881e-02 4.76 -1.549894746e-04 -5.870638088e-03 -8.783746139e-03 4.78 -1.325617011e-04 -5.010435897e-03 -7.496826818e-03 4.80 -1.134885557e-04 -4.272473518e-03 -6.392737081e-03 4.82 -9.725237673e-05 -3.640750093e-03 -5.447561126e-03 4.84 -8.341770729e-05 -3.100940748e-03 -4.639882975e-03 4.86 -7.161790554e-05 -2.640346440e-03 -3.950713538e-03 4.88 -6.154398278e-05 -2.247801590e-03 -3.363354153e-03 4.90 -5.293529231e-05 -1.913556307e-03 -2.863221588e-03 4.92 -4.557175648e-05 -1.629145851e-03 -2.437653594e-03 4.94 -3.926737430e-05 -1.387256547e-03 -2.075708917e-03 4.96 -3.386479424e-05 -1.181594561e-03 -1.767971379e-03 4.98 -2.923077330e-05 -1.006761670e-03 -1.506364309e-03 5.00 -2.525237479e-05 -8.581404899e-04 -1.283979022e-03 5.02 -2.183378201e-05 -7.317903653e-04 -1.094919187e-03 5.04 -1.889362561e-05 -6.243542775e-04 -9.341616281e-04 5.06 -1.636273953e-05 -5.329765385e-04 -7.974332409e-04 5.08 -1.418227540e-05 -4.552306740e-04 -6.811031194e-04 5.10 -1.230211670e-05 -3.890566923e-04 -5.820887206e-04 5.12 -1.067954343e-05 -3.327068411e-04 -4.977747133e-04 5.14 -9.278107041e-06 -2.846989263e-04 -4.259431391e-04 5.16 -8.066681389e-06 -2.437762981e-04 -3.647135417e-04 5.18 -7.018661615e-06 -2.088736599e-04 -3.124918076e-04 5.20 -6.111287050e-06 -1.790879276e-04 -2.679265630e-04 5.22 -5.325068575e-06 -1.536534461e-04 -2.298720870e-04 5.24 -4.643303824e-06 -1.319209459e-04 -1.973568231e-04 5.26 -4.051666345e-06 -1.133396984e-04 -1.695566752e-04 5.28 -3.537857132e-06 -9.744239945e-05 -1.457723870e-04 5.30 -3.091308821e-06 -8.383237316e-05 -1.254103927e-04 5.32 -2.702934327e-06 -7.217274614e-05 -1.079666169e-04 5.34 -2.364913055e-06 -6.217729164e-05 -9.301277241e-05 5.36 -2.070508922e-06 -5.360268780e-05 -8.018477577e-05 5.38 -1.813915323e-06 -4.624197199e-05 -6.917295113e-05 5.40 -1.590122912e-06 -3.991900605e-05 -5.971374803e-05 5.42 -1.394806760e-06 -3.448379594e-05 -5.158273732e-05 5.44 -1.224229971e-06 -2.980853281e-05 -4.458868675e-05 5.46 -1.075161278e-06 -2.578424336e-05 -3.856854851e-05 5.48 -9.448045263e-07 -2.231795474e-05 -3.338321665e-05 5.50 -8.307382932e-07 -1.933029393e-05 -2.891393478e-05 5.52 -7.308641387e-07 -1.675345416e-05 -2.505925293e-05 5.54 -6.433622121e-07 -1.452947135e-05 -2.173243245e-05 5.56 -5.666531439e-07 -1.260876261e-05 -1.885932535e-05 5.58 -4.993653085e-07 -1.094888623e-05 -1.637641596e-05 5.60 -4.403066739e-07 -9.513489030e-06 -1.422931679e-05 5.62 -3.884405797e-07 -8.271412217e-06 -1.237141219e-05 5.64 -3.428648788e-07 -7.195931454e-06 -1.076272128e-05 5.66 -3.027939632e-07 -6.264110570e-06 -9.368930853e-06 5.68 -2.675432610e-07 -5.456251586e-06 -8.160572533e-06 5.70 -2.365158570e-07 -4.755426408e-06 -7.112322018e-06 5.72 -2.091909375e-07 -4.147077804e-06 -6.202402072e-06 5.74 -1.851138023e-07 -3.618679197e-06 -5.412073493e-06 5.76 -1.638872261e-07 -3.159444413e-06 -4.725200842e-06 5.78 -1.451639810e-07 -2.760079892e-06 -4.127881706e-06 5.80 -1.286403614e-07 -2.412573017e-06 -3.608129998e-06 5.82 -1.140505699e-07 -2.110011166e-06 -3.155605242e-06 5.84 -1.011618495e-07 -1.846426944e-06 -2.761381012e-06 5.86 -8.977025881e-08 -1.616665701e-06 -2.417746734e-06 5.88 -7.969700194e-08 -1.416272078e-06 -2.118037938e-06 5.90 -7.078524026e-08 -1.241392759e-06 -1.856490779e-06 5.92 -6.289731927e-08 -1.088693085e-06 -1.628117280e-06 5.94 -5.591235589e-08 -9.552854860e-07 -1.428598270e-06 5.96 -4.972413753e-08 -8.386680396e-07 -1.254191459e-06 5.98 -4.423929185e-08 -7.366716686e-07 -1.101652452e-06 6.00 -3.937569126e-08 -6.474147496e-07 -9.681668429e-07