# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Ostovari-Moghaddam-A-Fereidonnejad-R-Moaddeli-M-et-al--Zr-Co # implementation = 2025--Ostovari-Moghaddam-A--Zr-Co--LAMMPS--ipr1 # composition = CoZr2 # 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 2025-07-01 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 2.314459177e+02 0.92 2.198895424e+02 0.94 2.088452491e+02 0.96 1.982919025e+02 0.98 1.882091945e+02 1.00 1.785776125e+02 1.02 1.693784107e+02 1.04 1.605935810e+02 1.06 1.522058257e+02 1.08 1.441985305e+02 1.10 1.365557395e+02 1.12 1.292621296e+02 1.14 1.223029874e+02 1.16 1.156641856e+02 1.18 1.093321609e+02 1.20 1.032938927e+02 1.22 9.753688236e+01 1.24 9.204913316e+01 1.26 8.681913125e+01 1.28 8.183582708e+01 1.30 7.708861753e+01 1.32 7.256732876e+01 1.34 6.826219961e+01 1.36 6.416386567e+01 1.38 6.026334392e+01 1.40 5.655201787e+01 1.42 5.302162337e+01 1.44 4.966423482e+01 1.46 4.647225199e+01 1.48 4.343838730e+01 1.50 4.055565351e+01 1.52 3.781735199e+01 1.54 3.521706134e+01 1.56 3.274862645e+01 1.58 3.040614803e+01 1.60 2.818397246e+01 1.62 2.607668206e+01 1.64 2.407908573e+01 1.66 2.218620996e+01 1.68 2.039329014e+01 1.70 1.869576225e+01 1.72 1.708925479e+01 1.74 1.556958116e+01 1.76 1.413273219e+01 1.78 1.277486900e+01 1.80 1.149231620e+01 1.82 1.028155524e+01 1.84 9.139218136e+00 1.86 8.062081343e+00 1.88 7.047059909e+00 1.90 6.091201856e+00 1.92 5.191682775e+00 1.94 4.345800617e+00 1.96 3.550970717e+00 1.98 2.804720987e+00 2.00 2.104687300e+00 2.02 1.448609075e+00 2.04 8.343250108e-01 2.06 2.597689973e-01 2.08 -2.770338029e-01 2.10 -7.779707382e-01 2.12 -1.244845284e+00 2.14 -1.679380525e+00 2.16 -2.083222499e+00 2.18 -2.457943406e+00 2.20 -2.805044687e+00 2.22 -3.125959994e+00 2.24 -3.422058017e+00 2.26 -3.694645228e+00 2.28 -3.944968488e+00 2.30 -4.174217567e+00 2.32 -4.383527563e+00 2.34 -4.573981207e+00 2.36 -4.746611097e+00 2.38 -4.902401830e+00 2.40 -5.042292045e+00 2.42 -5.167176396e+00 2.44 -5.277907435e+00 2.46 -5.375297419e+00 2.48 -5.460120048e+00 2.50 -5.533112134e+00 2.52 -5.594975192e+00 2.54 -5.646376980e+00 2.56 -5.687952960e+00 2.58 -5.720307717e+00 2.60 -5.744016304e+00 2.62 -5.759625542e+00 2.64 -5.767655261e+00 2.66 -5.768599493e+00 2.68 -5.762927614e+00 2.70 -5.751085440e+00 2.72 -5.733496274e+00 2.74 -5.710561915e+00 2.76 -5.682663622e+00 2.78 -5.650163037e+00 2.80 -5.613403069e+00 2.82 -5.572708746e+00 2.84 -5.528388025e+00 2.86 -5.480732569e+00 2.88 -5.430018498e+00 2.90 -5.376507096e+00 2.92 -5.320445501e+00 2.94 -5.262067356e+00 2.96 -5.201593438e+00 2.98 -5.139232257e+00 3.00 -5.075180631e+00 3.02 -5.009624235e+00 3.04 -4.942738129e+00 3.06 -4.874687262e+00 3.08 -4.805626949e+00 3.10 -4.735703339e+00 3.12 -4.665053851e+00 3.14 -4.593807596e+00 3.16 -4.522085784e+00 3.18 -4.450002106e+00 3.20 -4.377663104e+00 3.22 -4.305168523e+00 3.24 -4.232611651e+00 3.26 -4.160079636e+00 3.28 -4.087653797e+00 3.30 -4.015409917e+00 3.32 -3.943418527e+00 3.34 -3.871745167e+00 3.36 -3.800450651e+00 3.38 -3.729591304e+00 3.40 -3.659219202e+00 3.42 -3.589382389e+00 3.44 -3.520125095e+00 3.46 -3.451487936e+00 3.48 -3.383508108e+00 3.50 -3.316219572e+00 3.52 -3.249653232e+00 3.54 -3.183837102e+00 3.56 -3.118796463e+00 3.58 -3.054554021e+00 3.60 -2.991130048e+00 3.62 -2.928542525e+00 3.64 -2.866807271e+00 3.66 -2.805938068e+00 3.68 -2.745946785e+00 3.70 -2.686843486e+00 3.72 -2.628636545e+00 3.74 -2.571332744e+00 3.76 -2.514937374e+00 3.78 -2.459454328e+00 3.80 -2.404886189e+00 3.82 -2.351234314e+00 3.84 -2.298498917e+00 3.86 -2.246679140e+00 3.88 -2.195773132e+00 3.90 -2.145778110e+00 3.92 -2.096690433e+00 3.94 -2.048505654e+00 3.96 -2.001218588e+00 3.98 -1.954823360e+00 4.00 -1.909313463e+00 4.02 -1.864681804e+00 4.04 -1.820920754e+00 4.06 -1.778022191e+00 4.08 -1.735977543e+00 4.10 -1.694777828e+00 4.12 -1.654413692e+00 4.14 -1.614875443e+00 4.16 -1.576153088e+00 4.18 -1.538236360e+00 4.20 -1.501114755e+00 4.22 -1.464777553e+00 4.24 -1.429213847e+00 4.26 -1.393191007e+00 4.28 -1.331519412e+00 4.30 -1.161599138e+00 4.32 -7.527527580e-01 4.34 -5.399859518e-01 4.36 -5.238148062e-01 4.38 -5.080664131e-01 4.40 -4.927319722e-01 4.42 -4.778027567e-01 4.44 -4.632701202e-01 4.46 -4.491255021e-01 4.48 -4.353604328e-01 4.50 -4.219665386e-01 4.52 -4.089355460e-01 4.54 -3.962592855e-01 4.56 -3.839296949e-01 4.58 -3.719388223e-01 4.60 -3.602788292e-01 4.62 -3.489419924e-01 4.64 -3.379207061e-01 4.66 -3.272074841e-01 4.68 -3.167949605e-01 4.70 -3.066758913e-01 4.72 -2.968431555e-01 4.74 -2.872897554e-01 4.76 -2.780088175e-01 4.78 -2.689935925e-01 4.80 -2.602374555e-01 4.82 -2.517339062e-01 4.84 -2.434765681e-01 4.86 -2.354591888e-01 4.88 -2.276756391e-01 4.90 -2.201199124e-01 4.92 -2.129084706e-01 4.94 -2.074601006e-01 4.96 -2.018053968e-01 4.98 -1.550085295e-01 5.00 -4.153596777e-22 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00