# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Byggmastar-J-Hodille-E-A-Ferro-Y-Nordlund-K--Be-O # implementation = 2018--Byggmastar-J--Be-O--LAMMPS--ipr1 # composition = BeO3 # 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 7.731079228e+02 nan nan 0.64 6.871700397e+02 nan nan 0.66 6.129447238e+02 8.468036706e+02 nan 0.68 5.488416429e+02 7.598005609e+02 8.427767503e+02 0.70 4.930302924e+02 6.828847910e+02 7.559056791e+02 0.72 4.434406910e+02 6.151308726e+02 6.803851874e+02 0.74 3.995249313e+02 5.555058472e+02 6.146197881e+02 0.76 3.607814488e+02 5.029883222e+02 5.572397017e+02 0.78 3.262001266e+02 4.566649304e+02 5.066162240e+02 0.80 2.954925792e+02 4.153371729e+02 4.611966285e+02 0.82 2.683963894e+02 3.781556935e+02 4.206009424e+02 0.84 2.438932442e+02 3.443802035e+02 3.842998428e+02 0.86 2.215000326e+02 3.136257114e+02 3.518574813e+02 0.88 2.005559462e+02 2.858860016e+02 3.224893949e+02 0.90 1.811074548e+02 2.612338122e+02 2.952177371e+02 0.92 1.632064780e+02 2.389657469e+02 2.698614540e+02 0.94 1.469338332e+02 2.183636481e+02 2.463573908e+02 0.96 1.323267035e+02 1.992855061e+02 2.246874472e+02 0.98 1.193292772e+02 1.816047705e+02 2.046962622e+02 1.00 1.079199028e+02 1.653240466e+02 1.865137565e+02 1.02 9.777169453e+01 1.502233639e+02 1.703127712e+02 1.04 8.825172083e+01 1.363754511e+02 1.558079770e+02 1.06 7.922159362e+01 1.238438525e+02 1.423398770e+02 1.08 7.072236016e+01 1.124901193e+02 1.298873862e+02 1.10 6.278671059e+01 1.021284033e+02 1.184551132e+02 1.12 5.544982030e+01 9.270870980e+01 1.078609229e+02 1.14 4.878359186e+01 8.423040773e+01 9.804502251e+01 1.16 4.290512545e+01 7.666679949e+01 8.903978730e+01 1.18 3.787261754e+01 6.982896749e+01 8.076310708e+01 1.20 3.359285425e+01 6.357310208e+01 7.323499546e+01 1.22 2.997385623e+01 5.774147225e+01 6.640613531e+01 1.24 2.696558651e+01 5.215685939e+01 6.012406274e+01 1.26 2.425949179e+01 4.684113358e+01 5.439521656e+01 1.28 2.179561940e+01 4.180312856e+01 4.924340998e+01 1.30 1.951271553e+01 3.704593120e+01 4.468652676e+01 1.32 1.738437016e+01 3.258230785e+01 4.072292958e+01 1.34 1.540560625e+01 2.845829403e+01 3.725729864e+01 1.36 1.356698160e+01 2.476412736e+01 3.398020311e+01 1.38 1.185919978e+01 2.156812229e+01 3.081757215e+01 1.40 1.027128641e+01 1.899842853e+01 2.778122256e+01 1.42 8.805724643e+00 1.705133246e+01 2.487763259e+01 1.44 7.476681719e+00 1.531989574e+01 2.210803983e+01 1.46 6.302301379e+00 1.373282890e+01 1.947209621e+01 1.48 5.300459955e+00 1.226921238e+01 1.697472417e+01 1.50 4.479205233e+00 1.091362651e+01 1.463669743e+01 1.52 3.776875078e+00 9.664919338e+00 1.250610588e+01 1.54 3.148799631e+00 8.521524232e+00 1.065902662e+01 1.56 2.581680176e+00 7.480634756e+00 9.170886541e+00 1.58 2.031616860e+00 6.537804931e+00 7.943071514e+00 1.60 1.495659785e+00 5.686956459e+00 6.873231229e+00 1.62 9.792187475e-01 4.920712093e+00 5.957016563e+00 1.64 4.863100610e-01 4.230927648e+00 5.168773396e+00 1.66 1.950113222e-02 3.601294918e+00 4.451564868e+00 1.68 -4.200277979e-01 3.007775268e+00 3.796758027e+00 1.70 -8.322806588e-01 2.449632513e+00 3.198159965e+00 1.72 -1.218058882e+00 1.927004219e+00 2.648143190e+00 1.74 -1.578325289e+00 1.439750855e+00 2.144699437e+00 1.76 -1.913238632e+00 9.874488480e-01 1.686203541e+00 1.78 -2.220817778e+00 5.694277014e-01 1.270838386e+00 1.80 -2.495383017e+00 1.848503170e-01 8.964636223e-01 1.82 -2.726389893e+00 -1.671663731e-01 5.605717689e-01 1.84 -2.898978222e+00 -4.873981987e-01 2.603240686e-01 1.86 -2.997804929e+00 -7.763453516e-01 -7.351437932e-03 1.88 -3.014455332e+00 -1.034082055e+00 -2.456238626e-01 1.90 -2.993893470e+00 -1.260178258e+00 -4.576139584e-01 1.92 -2.970940044e+00 -1.463079464e+00 -6.597063311e-01 1.94 -2.949056689e+00 -1.649335751e+00 -8.635427687e-01 1.96 -2.927759211e+00 -1.815528332e+00 -1.065492589e+00 1.98 -2.906664438e+00 -1.958737354e+00 -1.262442931e+00 2.00 -2.885485350e+00 -2.078539059e+00 -1.451875109e+00 2.02 -2.864017923e+00 -2.188423571e+00 -1.631914047e+00 2.04 -2.842119465e+00 -2.290218752e+00 -1.801350345e+00 2.06 -2.819465299e+00 -2.382670994e+00 -1.959633362e+00 2.08 -2.782361526e+00 -2.465069265e+00 -2.106831058e+00 2.10 -2.721875766e+00 -2.537160740e+00 -2.243547546e+00 2.12 -2.637138869e+00 -2.599003657e+00 -2.370781632e+00 2.14 -2.527638164e+00 -2.650744602e+00 -2.489698557e+00 2.16 -2.393278028e+00 -2.692311417e+00 -2.601274759e+00 2.18 -2.234445265e+00 -2.723030832e+00 -2.705770229e+00 2.20 -2.052100577e+00 -2.741226903e+00 -2.802009334e+00 2.22 -1.847928994e+00 -2.743953606e+00 -2.886557646e+00 2.24 -1.624593544e+00 -2.727181052e+00 -2.953126913e+00 2.26 -1.386135245e+00 -2.686974915e+00 -2.992885232e+00 2.28 -1.138519181e+00 -2.622274136e+00 -2.996448096e+00 2.30 -8.901967425e-01 -2.538623046e+00 -2.957527595e+00 2.32 -6.522203195e-01 -2.448485644e+00 -2.888423444e+00 2.34 -4.345923380e-01 -2.358744675e+00 -2.802747270e+00 2.36 -2.477888499e-01 -2.261049673e+00 -2.700862693e+00 2.38 -1.046640294e-01 -2.149343558e+00 -2.583196220e+00 2.40 -1.945134606e-02 -2.024638432e+00 -2.450289290e+00 2.42 0.000000000e+00 -1.888069107e+00 -2.302843618e+00 2.44 0.000000000e+00 -1.740923983e+00 -2.141761634e+00 2.46 0.000000000e+00 -1.584676708e+00 -1.968184981e+00 2.48 0.000000000e+00 -1.421020887e+00 -1.783535528e+00 2.50 0.000000000e+00 -1.251910695e+00 -1.589565009e+00 2.52 0.000000000e+00 -1.079610576e+00 -1.388421528e+00 2.54 0.000000000e+00 -9.067574018e-01 -1.182743322e+00 2.56 0.000000000e+00 -7.364381901e-01 -9.757922528e-01 2.58 0.000000000e+00 -5.722853544e-01 -7.716411044e-01 2.60 0.000000000e+00 -4.185869790e-01 -5.754295222e-01 2.62 0.000000000e+00 -2.803917840e-01 -3.937001239e-01 2.64 0.000000000e+00 -1.635298615e-01 -2.347877267e-01 2.66 0.000000000e+00 -7.433101633e-02 -1.090194072e-01 2.68 0.000000000e+00 -1.865253287e-02 -2.780547038e-02 2.70 0.000000000e+00 7.250710047e-14 1.069096997e-13 2.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.96 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0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 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