# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Co # implementation = 2020--Wang-J--Cu-Co--LAMMPS--ipr1 # composition = Co3Cu # 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 2022-05-24 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 4.703378935e+02 nan nan 0.76 4.383355946e+02 nan nan 0.78 4.084117788e+02 nan nan 0.80 3.804319195e+02 4.694412371e+02 nan 0.82 3.542704907e+02 4.399657486e+02 5.463805781e+02 0.84 3.298103356e+02 4.122607222e+02 5.139743439e+02 0.86 3.069420788e+02 3.862195969e+02 4.833203771e+02 0.88 2.855635788e+02 3.617425210e+02 4.543300698e+02 0.90 2.655794211e+02 3.387359001e+02 4.269195396e+02 0.92 2.469004467e+02 3.171119745e+02 4.010092738e+02 0.94 2.294433162e+02 2.967884268e+02 3.765238105e+02 0.96 2.131301055e+02 2.776880172e+02 3.533914505e+02 0.98 1.978879320e+02 2.597382450e+02 3.315440011e+02 1.00 1.836486087e+02 2.428710341e+02 3.109165472e+02 1.02 1.703483235e+02 2.270224411e+02 2.914472475e+02 1.04 1.579273433e+02 2.121323851e+02 2.730771536e+02 1.06 1.463297393e+02 1.981443963e+02 2.557500494e+02 1.08 1.355031332e+02 1.850053833e+02 2.394123068e+02 1.10 1.253984615e+02 1.726654167e+02 2.240127578e+02 1.12 1.159697575e+02 1.610775287e+02 2.095025784e+02 1.14 1.071739487e+02 1.501975261e+02 1.958351838e+02 1.16 9.897066861e+01 1.399838175e+02 1.829661325e+02 1.18 9.132208257e+01 1.303972515e+02 1.708530379e+02 1.20 8.419272490e+01 1.214009674e+02 1.594554859e+02 1.22 7.754934805e+01 1.129602545e+02 1.487349582e+02 1.24 7.136078176e+01 1.050424225e+02 1.386547584e+02 1.26 6.559780200e+01 9.761667962e+01 1.291799428e+02 1.28 6.023300859e+01 9.065401901e+01 1.202772535e+02 1.30 5.524071109e+01 8.412711289e+01 1.119150528e+02 1.32 5.059682214e+01 7.801021321e+01 1.040632613e+02 1.34 4.627875786e+01 7.227905884e+01 9.669329607e+01 1.36 4.226534463e+01 6.691078862e+01 8.977801137e+01 1.38 3.853673193e+01 6.188385983e+01 8.329164004e+01 1.40 3.507431067e+01 5.717797178e+01 7.720973669e+01 1.42 3.186063679e+01 5.277399403e+01 7.150912197e+01 1.44 2.887935956e+01 4.865389905e+01 6.616782819e+01 1.46 2.611515447e+01 4.480069888e+01 6.116504623e+01 1.48 2.355366017e+01 4.119838560e+01 5.648107389e+01 1.50 2.118141948e+01 3.783187537e+01 5.209726550e+01 1.52 1.898582385e+01 3.468695572e+01 4.799598307e+01 1.54 1.695506140e+01 3.175023594e+01 4.416054888e+01 1.56 1.507806796e+01 2.900910037e+01 4.057519951e+01 1.58 1.334448129e+01 2.645166438e+01 3.722504149e+01 1.60 1.174459794e+01 2.406673286e+01 3.409600844e+01 1.62 1.026933276e+01 2.184376117e+01 3.117481975e+01 1.64 8.910180927e+00 1.977281819e+01 2.844894092e+01 1.66 7.659182183e+00 1.784455160e+01 2.590654531e+01 1.68 6.508887290e+00 1.605015501e+01 2.353647761e+01 1.70 5.452326497e+00 1.438133704e+01 2.132821869e+01 1.72 4.482979905e+00 1.283029211e+01 1.927185211e+01 1.74 3.594749630e+00 1.138967281e+01 1.735803198e+01 1.76 2.781933637e+00 1.005256397e+01 1.557795238e+01 1.78 2.039201164e+00 8.812457993e+00 1.392331814e+01 1.80 1.361569621e+00 7.663231733e+00 1.238631705e+01 1.82 7.443828983e-01 6.599124575e+00 1.095959335e+01 1.84 1.832909688e-01 5.614717768e+00 9.636222533e+00 1.86 -3.257692547e-01 4.704914914e+00 8.409687486e+00 1.88 -7.865919178e-01 3.864923540e+00 7.273855698e+00 1.90 -1.202719118e+00 3.090237706e+00 6.222957731e+00 1.92 -1.577456783e+00 2.376621581e+00 5.251566761e+00 1.94 -1.913889571e+00 1.720093939e+00 4.354579202e+00 1.96 -2.214894872e+00 1.116913524e+00 3.527196347e+00 1.98 -2.483155947e+00 5.635652270e-01 2.764906981e+00 2.00 -2.721174273e+00 5.674704836e-02 2.063470935e+00 2.02 -2.931281119e+00 -4.066422177e-01 1.418903524e+00 2.04 -3.115648425e+00 -8.295146041e-01 8.274608306e-01 2.06 -3.276298999e+00 -1.214603939e+00 2.856257970e-01 2.08 -3.415116098e+00 -1.564476195e+00 -2.099049196e-01 2.10 -3.533852406e+00 -1.881539264e+00 -6.622333629e-01 2.12 -3.634138469e+00 -2.168052166e+00 -1.074272003e+00 2.14 -3.717490594e+00 -2.426133753e+00 -1.448754806e+00 2.16 -3.785318269e+00 -2.657770912e+00 -1.788247684e+00 2.18 -3.838931114e+00 -2.864826304e+00 -2.095158358e+00 2.20 -3.879545398e+00 -3.049045669e+00 -2.371745657e+00 2.22 -3.908290158e+00 -3.212064712e+00 -2.620128296e+00 2.24 -3.926212919e+00 -3.355415601e+00 -2.842293154e+00 2.26 -3.934285072e+00 -3.480533090e+00 -3.040103074e+00 2.28 -3.933406897e+00 -3.588760269e+00 -3.215304228e+00 2.30 -3.924412286e+00 -3.681354066e+00 -3.369533043e+00 2.32 -3.908073151e+00 -3.759490342e+00 -3.504322749e+00 2.34 -3.885103567e+00 -3.824268736e+00 -3.621109529e+00 2.36 -3.856163641e+00 -3.876717232e+00 -3.721238331e+00 2.38 -3.821863143e+00 -3.917796458e+00 -3.805968331e+00 2.40 -3.782764899e+00 -3.948403735e+00 -3.876478091e+00 2.42 -3.739387975e+00 -3.969376901e+00 -3.933870402e+00 2.44 -3.692210649e+00 -3.981497908e+00 -3.979176861e+00 2.46 -3.641673197e+00 -3.985496211e+00 -4.013362170e+00 2.48 -3.588180501e+00 -3.982051965e+00 -4.037328189e+00 2.50 -3.532104487e+00 -3.971799033e+00 -4.051917747e+00 2.52 -3.473786409e+00 -3.955327826e+00 -4.057918234e+00 2.54 -3.413538981e+00 -3.933187971e+00 -4.056064980e+00 2.56 -3.351648377e+00 -3.905890831e+00 -4.047144000e+00 2.58 -3.288376103e+00 -3.873911875e+00 -4.034703781e+00 2.60 -3.223960739e+00 -3.837692915e+00 -4.026970885e+00 2.62 -3.158619586e+00 -3.797644215e+00 -4.012423993e+00 2.64 -3.092550188e+00 -3.754146472e+00 -3.981318059e+00 2.66 -3.025931778e+00 -3.707552691e+00 -3.945794048e+00 2.68 -2.958926611e+00 -3.658189953e+00 -3.906301494e+00 2.70 -2.891681234e+00 -3.606361079e+00 -3.863258720e+00 2.72 -2.824327660e+00 -3.552346204e+00 -3.817054768e+00 2.74 -2.756984482e+00 -3.496404265e+00 -3.768051230e+00 2.76 -2.689757911e+00 -3.438774402e+00 -3.716583955e+00 2.78 -2.622742762e+00 -3.379677292e+00 -3.662964660e+00 2.80 -2.556023372e+00 -3.319316404e+00 -3.607482445e+00 2.82 -2.489674476e+00 -3.257879196e+00 -3.550405210e+00 2.84 -2.423762033e+00 -3.195538244e+00 -3.491980987e+00 2.86 -2.358344005e+00 -3.132452322e+00 -3.432439194e+00 2.88 -2.293471102e+00 -3.068767424e+00 -3.371991805e+00 2.90 -2.229187493e+00 -3.004617741e+00 -3.310834457e+00 2.92 -2.165531487e+00 -2.940126594e+00 -3.249147472e+00 2.94 -2.102536179e+00 -2.875407321e+00 -3.187096832e+00 2.96 -2.039186075e+00 -2.810564131e+00 -3.124835082e+00 2.98 -1.963477891e+00 -2.745692913e+00 -3.062502176e+00 3.00 -1.876517424e+00 -2.680882017e+00 -3.000226268e+00 3.02 -1.852695400e+00 -2.616212996e+00 -2.938124460e+00 3.04 -1.811978294e+00 -2.551761313e+00 -2.876303486e+00 3.06 -1.771490395e+00 -2.487597019e+00 -2.814860368e+00 3.08 -1.731130669e+00 -2.423785388e+00 -2.753883014e+00 3.10 -1.690849825e+00 -2.360387521e+00 -2.693450784e+00 3.12 -1.650608788e+00 -2.297460875e+00 -2.633635021e+00 3.14 -1.610381090e+00 -2.234815067e+00 -2.574499537e+00 3.16 -1.570154540e+00 -2.170389028e+00 -2.516101081e+00 3.18 -1.529932016e+00 -2.095215167e+00 -2.458489763e+00 3.20 -1.489731350e+00 -1.998197166e+00 -2.401709466e+00 3.22 -1.449584385e+00 -1.943627541e+00 -2.345798221e+00 3.24 -1.408338517e+00 -1.893493457e+00 -2.290788571e+00 3.26 -1.350583050e+00 -1.843995361e+00 -2.236707907e+00 3.28 -1.223839884e+00 -1.795141588e+00 -2.183578797e+00 3.30 -9.282433959e-01 -1.746938699e+00 -2.131419294e+00 3.32 -7.913599786e-01 -1.699391704e+00 -2.080243229e+00 3.34 -7.740958011e-01 -1.652504280e+00 -2.030060500e+00 3.36 -7.571227625e-01 -1.606278981e+00 -1.980877341e+00 3.38 -7.404410704e-01 -1.560717445e+00 -1.932696580e+00 3.40 -7.240505424e-01 -1.515820596e+00 -1.885517881e+00 3.42 -7.079506351e-01 -1.471588844e+00 -1.839337962e+00 3.44 -6.921404716e-01 -1.428022279e+00 -1.794150798e+00 3.46 -6.766188667e-01 -1.385120859e+00 -1.749947778e+00 3.48 -6.613843517e-01 -1.342884599e+00 -1.706717836e+00 3.50 -6.464351966e-01 -1.301313746e+00 -1.664447538e+00 3.52 -6.317694321e-01 -1.260408955e+00 -1.623121120e+00 3.54 -6.173848693e-01 -1.220171456e+00 -1.582720491e+00 3.56 -6.032791192e-01 -1.180603209e+00 -1.543225209e+00 3.58 -5.894496100e-01 -1.141707052e+00 -1.504612438e+00 3.60 -5.758936047e-01 -1.103486833e+00 -1.466856936e+00 3.62 -5.614566456e-01 -1.064160479e+00 -1.429228224e+00 3.64 -5.315217288e-01 -1.001366524e+00 -1.382176322e+00 3.66 -4.470300307e-01 -8.529643751e-01 -1.276542609e+00 3.68 -2.512638042e-01 -5.045857936e-01 -8.866817422e-01 3.70 -1.162124987e-22 -3.307554644e-22 -3.502569907e-22 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 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