# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CrNi3 # 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 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 5.134355765e+02 nan nan 0.86 4.744979702e+02 nan nan 0.88 4.383481256e+02 nan nan 0.90 4.047938743e+02 nan nan 0.92 3.736558922e+02 4.873219220e+02 nan 0.94 3.447668647e+02 4.530004802e+02 4.922245396e+02 0.96 3.179707036e+02 4.209573261e+02 4.590138437e+02 0.98 2.931218145e+02 3.910468190e+02 4.279045568e+02 1.00 2.700844108e+02 3.631323576e+02 3.987693065e+02 1.02 2.487318711e+02 3.370858324e+02 3.714881757e+02 1.04 2.289461383e+02 3.127871114e+02 3.459482802e+02 1.06 2.106171561e+02 2.901235556e+02 3.220433679e+02 1.08 1.936423431e+02 2.689895633e+02 2.996734411e+02 1.10 1.779260988e+02 2.492861422e+02 2.787444000e+02 1.12 1.633793430e+02 2.309205062e+02 2.591677051e+02 1.14 1.499190837e+02 2.138056965e+02 2.408600591e+02 1.16 1.374680139e+02 1.978602253e+02 2.237431063e+02 1.18 1.259541329e+02 1.830077411e+02 2.077431487e+02 1.20 1.153103941e+02 1.691767134e+02 1.927908779e+02 1.22 1.054743737e+02 1.563001367e+02 1.788211222e+02 1.24 9.638796211e+01 1.443152524e+02 1.657726077e+02 1.26 8.799707504e+01 1.331632869e+02 1.535877330e+02 1.28 8.025138335e+01 1.227892057e+02 1.422123560e+02 1.30 7.310406058e+01 1.131414828e+02 1.315955934e+02 1.32 6.651154701e+01 1.041718829e+02 1.216896314e+02 1.34 6.043332905e+01 9.583525780e+01 1.124495463e+02 1.36 5.483173327e+01 8.808935441e+01 1.038331363e+02 1.38 4.967173376e+01 8.089463491e+01 9.580076222e+01 1.40 4.492077235e+01 7.421410741e+01 8.831519714e+01 1.42 4.054859054e+01 6.801316706e+01 8.134148511e+01 1.44 3.652707262e+01 6.225944681e+01 7.484680741e+01 1.46 3.283009915e+01 5.692267722e+01 6.880035668e+01 1.48 2.943341012e+01 5.197455488e+01 6.317321815e+01 1.50 2.631447725e+01 4.738861876e+01 5.793825765e+01 1.52 2.345238477e+01 4.314013425e+01 5.307001608e+01 1.54 2.082771815e+01 3.920598419e+01 4.854460993e+01 1.56 1.842246027e+01 3.556456664e+01 4.433963744e+01 1.58 1.621989454e+01 3.219569893e+01 4.043409025e+01 1.60 1.420451451e+01 2.908052758e+01 3.680827013e+01 1.62 1.236193963e+01 2.620144383e+01 3.344371044e+01 1.64 1.067883653e+01 2.354200429e+01 3.032310226e+01 1.66 9.142845830e+00 2.108685661e+01 2.743022471e+01 1.68 7.742513697e+00 1.882166968e+01 2.474987932e+01 1.70 6.467228192e+00 1.673306816e+01 2.226782831e+01 1.72 5.307159861e+00 1.480857110e+01 1.997073632e+01 1.74 4.253206420e+00 1.303653440e+01 1.784611568e+01 1.76 3.296941181e+00 1.140609680e+01 1.588227483e+01 1.78 2.430565038e+00 9.907129299e+00 1.406826971e+01 1.80 1.646861722e+00 8.530187710e+00 1.239385814e+01 1.82 9.391561553e-01 7.266468197e+00 1.084945671e+01 1.84 3.012756501e-01 6.107765610e+00 9.426100395e+00 1.86 -2.724861877e-01 5.046434426e+00 8.115404402e+00 1.88 -7.874030760e-01 4.075352170e+00 6.909528383e+00 1.90 -1.248347325e+00 3.187885139e+00 5.801142714e+00 1.92 -1.659818943e+00 2.377856290e+00 4.783396807e+00 1.94 -2.025972701e+00 1.639515175e+00 3.849889299e+00 1.96 -2.350643315e+00 9.675097752e-01 2.994640024e+00 1.98 -2.637368857e+00 3.568601385e-01 2.212063664e+00 2.00 -2.889412519e+00 -1.970663099e-01 1.496944985e+00 2.02 -3.109782855e+00 -6.985778719e-01 8.444155504e-01 2.04 -3.301252579e+00 -1.151680206e+00 2.499318528e-01 2.06 -3.466376039e+00 -1.560096565e+00 -2.907452453e-01 2.08 -3.607505454e+00 -1.927286732e+00 -7.815698191e-01 2.10 -3.726805986e+00 -2.256464736e+00 -1.226229020e+00 2.12 -3.826269744e+00 -2.550615427e+00 -1.628160110e+00 2.14 -3.907728781e+00 -2.812509965e+00 -1.990566455e+00 2.16 -3.972867157e+00 -3.044720320e+00 -2.316432547e+00 2.18 -4.023232143e+00 -3.249632243e+00 -2.608538094e+00 2.20 -4.060244600e+00 -3.429447627e+00 -2.869471258e+00 2.22 -4.085208625e+00 -3.586199705e+00 -3.101641067e+00 2.24 -4.099320480e+00 -3.721774996e+00 -3.307289063e+00 2.26 -4.103669228e+00 -3.837923606e+00 -3.488500234e+00 2.28 -4.099221751e+00 -3.936268481e+00 -3.647213257e+00 2.30 -4.086858967e+00 -4.018314054e+00 -3.785230115e+00 2.32 -4.067391320e+00 -4.085454331e+00 -3.904225105e+00 2.34 -4.041563995e+00 -4.138980455e+00 -4.005753283e+00 2.36 -4.010061765e+00 -4.180087772e+00 -4.091258385e+00 2.38 -3.973513494e+00 -4.209882441e+00 -4.162080244e+00 2.40 -3.932496313e+00 -4.229387604e+00 -4.219461736e+00 2.42 -3.887539507e+00 -4.239549152e+00 -4.264555294e+00 2.44 -3.839128116e+00 -4.241241117e+00 -4.298429002e+00 2.46 -3.787706283e+00 -4.235270697e+00 -4.322072305e+00 2.48 -3.733680359e+00 -4.222382957e+00 -4.336401349e+00 2.50 -3.677421782e+00 -4.203265213e+00 -4.342263982e+00 2.52 -3.619269751e+00 -4.178549426e+00 -4.340441892e+00 2.54 -3.559533708e+00 -4.148803833e+00 -4.331636691e+00 2.56 -3.498495634e+00 -4.114545949e+00 -4.316488181e+00 2.58 -3.436412181e+00 -4.076253713e+00 -4.295589906e+00 2.60 -3.373516647e+00 -4.034368291e+00 -4.269492296e+00 2.62 -3.310020811e+00 -3.989296643e+00 -4.238705523e+00 2.64 -3.246116624e+00 -3.941413911e+00 -4.203702174e+00 2.66 -3.181977786e+00 -3.891065653e+00 -4.164919758e+00 2.68 -3.117761194e+00 -3.838569931e+00 -4.122763059e+00 2.70 -3.053608296e+00 -3.784219257e+00 -4.077606335e+00 2.72 -2.989646334e+00 -3.728282406e+00 -4.029795378e+00 2.74 -2.925989500e+00 -3.671006118e+00 -3.979649447e+00 2.76 -2.862739999e+00 -3.612616670e+00 -3.927463073e+00 2.78 -2.799989040e+00 -3.553321361e+00 -3.873507754e+00 2.80 -2.737817747e+00 -3.493309876e+00 -3.818033537e+00 2.82 -2.676298002e+00 -3.432755578e+00 -3.761270497e+00 2.84 -2.615493223e+00 -3.371816696e+00 -3.703430129e+00 2.86 -2.555459083e+00 -3.310637440e+00 -3.644706638e+00 2.88 -2.496244178e+00 -3.249349041e+00 -3.585278154e+00 2.90 -2.437890635e+00 -3.188070713e+00 -3.525307866e+00 2.92 -2.380434680e+00 -3.126910554e+00 -3.464945078e+00 2.94 -2.323907158e+00 -3.065966385e+00 -3.404326201e+00 2.96 -2.268334015e+00 -3.005326526e+00 -3.343575676e+00 2.98 -2.213736739e+00 -2.945070524e+00 -3.282806838e+00 3.00 -2.160132770e+00 -2.885269827e+00 -3.222122721e+00 3.02 -2.107535875e+00 -2.825988409e+00 -3.161616811e+00 3.04 -2.055956489e+00 -2.767283354e+00 -3.101373749e+00 3.06 -2.005402040e+00 -2.709205401e+00 -3.041469981e+00 3.08 -1.955877233e+00 -2.651799442e+00 -2.981974376e+00 3.10 -1.907384327e+00 -2.595104993e+00 -2.922948790e+00 3.12 -1.859923370e+00 -2.539156627e+00 -2.864448610e+00 3.14 -1.813492437e+00 -2.483984378e+00 -2.806524647e+00 3.16 -1.768087827e+00 -2.429614112e+00 -2.749227083e+00 3.18 -1.723704257e+00 -2.376067878e+00 -2.692592912e+00 3.20 -1.680335036e+00 -2.323364225e+00 -2.636634873e+00 3.22 -1.637972224e+00 -2.271518501e+00 -2.581397771e+00 3.24 -1.596606774e+00 -2.220543130e+00 -2.526907672e+00 3.26 -1.556228669e+00 -2.170447870e+00 -2.473186679e+00 3.28 -1.516827038e+00 -2.121240042e+00 -2.420253536e+00 3.30 -1.478390272e+00 -2.072924755e+00 -2.368123903e+00 3.32 -1.440906119e+00 -2.025505108e+00 -2.316810617e+00 3.34 -1.404361779e+00 -1.978982372e+00 -2.266323925e+00 3.36 -1.368743983e+00 -1.933356169e+00 -2.216671713e+00 3.38 -1.334039071e+00 -1.888624627e+00 -2.167859708e+00 3.40 -1.300233061e+00 -1.844784529e+00 -2.119891669e+00 3.42 -1.267311706e+00 -1.801831446e+00 -2.072769566e+00 3.44 -1.235260553e+00 -1.759759868e+00 -2.026493740e+00 3.46 -1.204064991e+00 -1.718563312e+00 -1.981063058e+00 3.48 -1.173710297e+00 -1.678234431e+00 -1.936475052e+00 3.50 -1.144181674e+00 -1.638765113e+00 -1.892726049e+00 3.52 -1.115464288e+00 -1.600146569e+00 -1.849811289e+00 3.54 -1.087543300e+00 -1.562369412e+00 -1.807725038e+00 3.56 -1.060403892e+00 -1.525423739e+00 -1.766460689e+00 3.58 -1.034031293e+00 -1.489299194e+00 -1.726010857e+00 3.60 -1.008425376e+00 -1.453985035e+00 -1.686367465e+00 3.62 -9.865294181e-01 -1.419470188e+00 -1.647521821e+00 3.64 -9.944221798e-01 -1.385743304e+00 -1.609464699e+00 3.66 -1.091332656e+00 -1.352792803e+00 -1.572186399e+00 3.68 -1.007551152e+00 -1.320606922e+00 -1.535676812e+00 3.70 -9.861445954e-01 -1.289173752e+00 -1.499925477e+00 3.72 -9.651938396e-01 -1.258481273e+00 -1.464921635e+00 3.74 -9.446907967e-01 -1.228517389e+00 -1.430654272e+00 3.76 -9.246272861e-01 -1.199269957e+00 -1.397112167e+00 3.78 -9.049950700e-01 -1.170726815e+00 -1.364283931e+00 3.80 -8.857858826e-01 -1.142875802e+00 -1.332158041e+00 3.82 -8.669914580e-01 -1.115700842e+00 -1.300722876e+00 3.84 -8.486035528e-01 -1.088883769e+00 -1.269966746e+00 3.86 -8.306139670e-01 -1.060686768e+00 -1.239877919e+00 3.88 -8.130145609e-01 -1.025029349e+00 -1.210444648e+00 3.90 -7.957972703e-01 -9.899767670e-01 -1.181655190e+00 3.92 -7.789541188e-01 -9.691147180e-01 -1.153497828e+00 3.94 -7.624761102e-01 -9.488005314e-01 -1.125960890e+00 3.96 -7.454344919e-01 -9.290231560e-01 -1.099032765e+00 3.98 -7.207100753e-01 -9.097715674e-01 -1.072701915e+00 4.00 -6.633302949e-01 -8.910347655e-01 -1.046956893e+00 4.02 -3.549709373e-01 -8.728017697e-01 -1.021786351e+00 4.04 -3.274968032e-01 -8.550616144e-01 -9.971790509e-01 4.06 -3.204048792e-01 -8.378033423e-01 -9.731238744e-01 4.08 -3.134656012e-01 -8.210159968e-01 -9.496098306e-01 4.10 -3.066755814e-01 -8.046886146e-01 -9.266260628e-01 4.12 -3.000315140e-01 -7.888102161e-01 -9.041618545e-01 4.14 -2.935301732e-01 -7.733697965e-01 -8.822066349e-01 4.16 -2.871684111e-01 -7.583563158e-01 -8.607499826e-01 4.18 -2.809431558e-01 -7.437586884e-01 -8.397816300e-01 4.20 -2.748514093e-01 -7.295657736e-01 -8.192914655e-01 4.22 -2.688902455e-01 -7.157663652e-01 -7.992695365e-01 4.24 -2.630568085e-01 -7.023491823e-01 -7.797060508e-01 4.26 -2.573483107e-01 -6.893028607e-01 -7.605913783e-01 4.28 -2.517620308e-01 -6.766159450e-01 -7.419160517e-01 4.30 -2.462953121e-01 -6.642768824e-01 -7.236707670e-01 4.32 -2.409455610e-01 -6.522740184e-01 -7.058463836e-01 4.34 -2.357102448e-01 -6.405955942e-01 -6.884339245e-01 4.36 -2.305868906e-01 -6.292297471e-01 -6.714245752e-01 4.38 -2.255730832e-01 -6.181645134e-01 -6.548096836e-01 4.40 -2.206664640e-01 -6.073878353e-01 -6.385807585e-01 4.42 -2.154046583e-01 -5.959496636e-01 -6.219636161e-01 4.44 -2.039697676e-01 -5.717450588e-01 -5.950608306e-01 4.46 -1.710410727e-01 -4.989043012e-01 -5.259776446e-01 4.48 -9.532373165e-02 -3.043215848e-01 -3.336017414e-01 4.50 -1.383649431e-22 -3.832889756e-22 -3.572020379e-22 4.52 0.000000000e+00 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