# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Munetoh-S-Motooka-T-Moriguchi-K-Shintani-A--Si-O # implementation = 2007--Munetoh-S--Si-O--LAMMPS--ipr1 # composition = O3Si # 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 1.502536149e+03 nan nan 0.64 1.330207240e+03 nan nan 0.66 1.181502900e+03 nan nan 0.68 1.051554155e+03 1.472869101e+03 nan 0.70 9.395585990e+02 1.323151142e+03 1.476537024e+03 0.72 8.433095316e+02 1.186530656e+03 1.329143623e+03 0.74 7.578144090e+02 1.063273283e+03 1.196438729e+03 0.76 6.808622333e+02 9.555089908e+02 1.077701195e+03 0.78 6.098043395e+02 8.631679521e+02 9.729478636e+02 0.80 5.432223890e+02 7.820829447e+02 8.794785429e+02 0.82 4.830463239e+02 7.082483010e+02 7.928150041e+02 0.84 4.306590416e+02 6.401519796e+02 7.127341182e+02 0.86 3.864983797e+02 5.779800336e+02 6.410424138e+02 0.88 3.489007136e+02 5.216961298e+02 5.792687441e+02 0.90 3.157540688e+02 4.706404535e+02 5.275716621e+02 0.92 2.841742916e+02 4.238912913e+02 4.810452006e+02 0.94 2.535619440e+02 3.818135130e+02 4.379926691e+02 0.96 2.248328045e+02 3.443693681e+02 3.979159993e+02 0.98 1.988304062e+02 3.116106025e+02 3.612778770e+02 1.00 1.762036290e+02 2.835886985e+02 3.280747193e+02 1.02 1.567447940e+02 2.586869107e+02 2.977454980e+02 1.04 1.406050259e+02 2.363888945e+02 2.701452478e+02 1.06 1.268269913e+02 2.158779727e+02 2.453172821e+02 1.08 1.149545790e+02 1.965170735e+02 2.228122492e+02 1.10 1.042223140e+02 1.777253492e+02 2.023357673e+02 1.12 9.444724548e+01 1.593570996e+02 1.840613465e+02 1.14 8.554486612e+01 1.417992259e+02 1.680667659e+02 1.16 7.729837071e+01 1.253929197e+02 1.541119210e+02 1.18 6.944398499e+01 1.105418034e+02 1.414324387e+02 1.20 6.203983881e+01 9.768026381e+01 1.296919014e+02 1.22 5.514874967e+01 8.719139216e+01 1.182536430e+02 1.24 4.883060301e+01 7.908021513e+01 1.070845672e+02 1.26 4.311940723e+01 7.202684015e+01 9.630804030e+01 1.28 3.793724324e+01 6.555026703e+01 8.578023855e+01 1.30 3.334881389e+01 5.960497153e+01 7.565761628e+01 1.32 2.939327875e+01 5.414897501e+01 6.615426999e+01 1.34 2.585067926e+01 4.914356892e+01 5.755508750e+01 1.36 2.268572844e+01 4.455306067e+01 5.029517144e+01 1.38 1.992136407e+01 4.034453943e+01 4.462116880e+01 1.40 1.752895211e+01 3.648766010e+01 4.004477356e+01 1.42 1.530715349e+01 3.295444413e+01 3.625615742e+01 1.44 1.318226652e+01 2.971909589e+01 3.281852818e+01 1.46 1.112154878e+01 2.675783325e+01 2.965817021e+01 1.48 9.068769715e+00 2.404301025e+01 2.675410865e+01 1.50 7.068674057e+00 2.150445471e+01 2.408691185e+01 1.52 5.159694605e+00 1.912621146e+01 2.163857902e+01 1.54 3.373877844e+00 1.688554852e+01 1.939243606e+01 1.56 1.746254512e+00 1.464535742e+01 1.733303895e+01 1.58 3.296230205e-01 1.242989615e+01 1.544608417e+01 1.60 -7.957798451e-01 1.029619122e+01 1.371832561e+01 1.62 -1.541636769e+00 8.295057376e+00 1.213749752e+01 1.64 -1.947829638e+00 6.470227912e+00 1.069224309e+01 1.66 -2.250134114e+00 4.861585160e+00 9.372048127e+00 1.68 -2.510533810e+00 3.508743775e+00 8.167179656e+00 1.70 -2.732974181e+00 2.447258536e+00 7.068628879e+00 1.72 -2.935322178e+00 1.656161068e+00 6.025299494e+00 1.74 -3.131135551e+00 9.917207862e-01 5.001542012e+00 1.76 -3.318400605e+00 3.606868609e-01 4.010557925e+00 1.78 -3.495993783e+00 -2.458973454e-01 3.052557811e+00 1.80 -3.663457953e+00 -8.298542400e-01 2.100707855e+00 1.82 -3.820680751e+00 -1.396880536e+00 1.169939502e+00 1.84 -3.967469226e+00 -1.938784550e+00 2.751550923e-01 1.86 -4.088079970e+00 -2.449573319e+00 -5.739478859e-01 1.88 -4.141943111e+00 -2.925203813e+00 -1.372139230e+00 1.90 -4.111309835e+00 -3.361367334e+00 -2.116027537e+00 1.92 -3.981371553e+00 -3.749720280e+00 -2.798851680e+00 1.94 -3.741197872e+00 -4.072897445e+00 -3.402453435e+00 1.96 -3.386158471e+00 -4.300925628e+00 -3.889049877e+00 1.98 -2.921850506e+00 -4.396191514e+00 -4.202772465e+00 2.00 -2.370043624e+00 -4.338361781e+00 -4.311902311e+00 2.02 -1.782626164e+00 -4.214962628e+00 -4.313953871e+00 2.04 -1.212061692e+00 -4.115029434e+00 -4.304674599e+00 2.06 -7.033975193e-01 -4.047351190e+00 -4.285242288e+00 2.08 -3.059108447e-01 -3.960530510e+00 -4.244156698e+00 2.10 -6.372974380e-02 -3.822753666e+00 -4.161342833e+00 2.12 0.000000000e+00 -3.634223948e+00 -4.030831227e+00 2.14 0.000000000e+00 -3.396152200e+00 -3.847361622e+00 2.16 0.000000000e+00 -3.111162089e+00 -3.607248176e+00 2.18 0.000000000e+00 -2.783806876e+00 -3.309250571e+00 2.20 0.000000000e+00 -2.421043336e+00 -2.955382027e+00 2.22 0.000000000e+00 -2.032650367e+00 -2.551695186e+00 2.24 0.000000000e+00 -1.631560559e+00 -2.109107294e+00 2.26 0.000000000e+00 -1.234019191e+00 -1.644312963e+00 2.28 0.000000000e+00 -8.593824452e-01 -1.180712005e+00 2.30 0.000000000e+00 -5.292293337e-01 -7.489031424e-01 2.32 0.000000000e+00 -2.653910109e-01 -3.855326666e-01 2.34 0.000000000e+00 -8.671721273e-02 -1.285281007e-01 2.36 0.000000000e+00 -5.073628910e-03 -7.602750153e-03 2.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 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0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 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