# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Co3Mo # 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 2024-04-11 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 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 1.974726863e+02 nan nan 1.16 1.799295461e+02 nan nan 1.18 1.639273503e+02 nan nan 1.20 1.493261439e+02 nan nan 1.22 1.359968059e+02 nan nan 1.24 1.238208631e+02 nan nan 1.26 1.126901504e+02 nan nan 1.28 1.025062643e+02 1.679098273e+02 1.958051144e+02 1.30 9.318106718e+01 1.541127883e+02 1.801951887e+02 1.32 8.463725107e+01 1.414232079e+02 1.658069635e+02 1.34 7.680720320e+01 1.297458223e+02 1.525357937e+02 1.36 6.963069804e+01 1.189926767e+02 1.402882251e+02 1.38 6.305315084e+01 1.090834767e+02 1.289802232e+02 1.40 5.702496010e+01 9.994582304e+01 1.185357138e+02 1.42 5.150104415e+01 9.151491567e+01 1.088860531e+02 1.44 4.643994522e+01 8.373249336e+01 9.996947519e+01 1.46 4.180289902e+01 7.654575522e+01 9.172999556e+01 1.48 3.755343368e+01 6.990700113e+01 8.411630198e+01 1.50 3.365757131e+01 6.377360800e+01 7.708092189e+01 1.52 3.008431499e+01 5.810757223e+01 7.057963879e+01 1.54 2.680821022e+01 5.287465734e+01 6.457118701e+01 1.56 2.380695366e+01 4.804366580e+01 5.901712876e+01 1.58 2.106031516e+01 4.358595644e+01 5.388181682e+01 1.60 1.854778568e+01 3.947500479e+01 4.913245740e+01 1.62 1.625054426e+01 3.568592672e+01 4.473913948e+01 1.64 1.415132633e+01 3.219506611e+01 4.067461306e+01 1.66 1.223442545e+01 2.898003881e+01 3.691388778e+01 1.68 1.048568320e+01 2.602165217e+01 3.343395193e+01 1.70 8.892335708e+00 2.330075260e+01 3.021374564e+01 1.72 7.442748857e+00 2.080044514e+01 2.723627701e+01 1.74 6.126147342e+00 1.850314608e+01 2.448527198e+01 1.76 4.932422256e+00 1.639216278e+01 2.194632184e+01 1.78 3.852036675e+00 1.445198049e+01 1.960524555e+01 1.80 2.875985831e+00 1.266841548e+01 1.744822158e+01 1.82 1.995761224e+00 1.102876939e+01 1.546246205e+01 1.84 1.203318524e+00 9.521847917e+00 1.363596281e+01 1.86 4.910773090e-01 8.137822021e+00 1.195725389e+01 1.88 -1.480547134e-01 6.867979877e+00 1.041526086e+01 1.90 -7.206732686e-01 5.704429996e+00 8.999346565e+00 1.92 -1.232903355e+00 4.639822955e+00 7.699475115e+00 1.94 -1.690437069e+00 3.667160281e+00 6.506341315e+00 1.96 -2.098552759e+00 2.779724000e+00 5.411362550e+00 1.98 -2.462107901e+00 1.971101831e+00 4.406575882e+00 2.00 -2.785519571e+00 1.235248438e+00 3.484551930e+00 2.02 -3.072750030e+00 5.665268170e-01 2.638390693e+00 2.04 -3.327308910e+00 -4.030329946e-02 1.861787956e+00 2.06 -3.552277469e+00 -5.901486457e-01 1.149118275e+00 2.08 -3.750355664e+00 -1.087661632e+00 4.954775450e-01 2.10 -3.923926314e+00 -1.537292376e+00 -1.033479069e-01 2.12 -4.075123658e+00 -1.943291479e+00 -6.509840183e-01 2.14 -4.205761943e+00 -2.309668151e+00 -1.150616001e+00 2.16 -4.317626045e+00 -2.640124429e+00 -1.605145268e+00 2.18 -4.412643546e+00 -2.937991454e+00 -2.017326985e+00 2.20 -4.492527970e+00 -3.206191519e+00 -2.389865300e+00 2.22 -4.558790250e+00 -3.447239954e+00 -2.725449835e+00 2.24 -4.612751230e+00 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-4.184145806e+00 -4.810036189e+00 -4.849463434e+00 2.62 -4.108515294e+00 -4.781313813e+00 -4.844105998e+00 2.64 -4.029640347e+00 -4.747291300e+00 -4.832754222e+00 2.66 -3.947872403e+00 -4.708416432e+00 -4.815622939e+00 2.68 -3.863565359e+00 -4.664975887e+00 -4.792951003e+00 2.70 -3.777051656e+00 -4.617091201e+00 -4.764996155e+00 2.72 -3.688620501e+00 -4.564839811e+00 -4.732031055e+00 2.74 -3.598505744e+00 -4.508304036e+00 -4.694305241e+00 2.76 -3.506884876e+00 -4.447581722e+00 -4.651933231e+00 2.78 -3.413885493e+00 -4.382792933e+00 -4.605043942e+00 2.80 -3.319594600e+00 -4.314082548e+00 -4.553836844e+00 2.82 -3.224068561e+00 -4.241620343e+00 -4.498583944e+00 2.84 -3.127343888e+00 -4.165600372e+00 -4.439627547e+00 2.86 -3.029449633e+00 -4.086240923e+00 -4.377367888e+00 2.88 -2.930421338e+00 -4.003785636e+00 -4.312237691e+00 2.90 -2.830315656e+00 -3.918505712e+00 -4.244666118e+00 2.92 -2.729224546e+00 -3.830702671e+00 -4.175040256e+00 2.94 -2.627288163e+00 -3.740710745e+00 -4.103674622e+00 2.96 -2.524705711e+00 -3.648897720e+00 -4.030796302e+00 2.98 -2.421743398e+00 -3.555662816e+00 -3.956547131e+00 3.00 -2.318738394e+00 -3.461430089e+00 -3.880998538e+00 3.02 -2.216097507e+00 -3.366636119e+00 -3.804172184e+00 3.04 -2.114289486e+00 -3.271711744e+00 -3.726060310e+00 3.06 -2.013830433e+00 -3.177059353e+00 -3.646642259e+00 3.08 -1.915262805e+00 -3.083029338e+00 -3.565896048e+00 3.10 -1.819129617e+00 -2.989900562e+00 -3.483805498e+00 3.12 -1.725946503e+00 -2.897869262e+00 -3.400364069e+00 3.14 -1.636174840e+00 -2.807048550e+00 -3.315576668e+00 3.16 -1.550199142e+00 -2.717477739e+00 -3.229460484e+00 3.18 -1.468311181e+00 -2.629138535e+00 -3.142045680e+00 3.20 -1.390702194e+00 -2.541974326e+00 -3.053376503e+00 3.22 -1.317463200e+00 -2.455909407e+00 -2.963513216e+00 3.24 -1.248592340e+00 -2.370866121e+00 -2.872535008e+00 3.26 -1.184007381e+00 -2.286779013e+00 -2.780543879e+00 3.28 -1.123561244e+00 -2.203605863e+00 -2.687669264e+00 3.30 -1.067058500e+00 -2.121335785e+00 -2.594072990e+00 3.32 -1.014271220e+00 -2.039994589e+00 -2.499953959e+00 3.34 -9.649530202e-01 -1.959647562e+00 -2.405551821e+00 3.36 -9.188507006e-01 -1.880399638e+00 -2.311148873e+00 3.38 -8.757132956e-01 -1.802392915e+00 -2.217069447e+00 3.40 -8.352986472e-01 -1.725801511e+00 -2.123676224e+00 3.42 -7.973778116e-01 -1.650823919e+00 -2.031363138e+00 3.44 -7.617376859e-01 -1.577673261e+00 -1.940544868e+00 3.46 -7.281822475e-01 -1.506566102e+00 -1.851643238e+00 3.48 -6.965327703e-01 -1.437710740e+00 -1.765071260e+00 3.50 -6.666273216e-01 -1.371295981e+00 -1.681215873e+00 3.52 -6.383197878e-01 -1.307481388e+00 -1.600420871e+00 3.54 -6.114786153e-01 -1.246389850e+00 -1.522971714e+00 3.56 -5.859854136e-01 -1.188102948e+00 -1.449083954e+00 3.58 -5.617335192e-01 -1.132659320e+00 -1.378896675e+00 3.60 -5.386265964e-01 -1.080055825e+00 -1.312471615e+00 3.62 -5.165773204e-01 -1.030251044e+00 -1.249797746e+00 3.64 -4.955061760e-01 -9.831705147e-01 -1.190800262e+00 3.66 -4.753403854e-01 -9.387129806e-01 -1.135352410e+00 3.68 -4.560129714e-01 -8.967570350e-01 -1.083288494e+00 3.70 -4.374619553e-01 -8.571675928e-01 -1.034416610e+00 3.72 -4.196296826e-01 -8.198017901e-01 -9.885300866e-01 3.74 -4.024622731e-01 -7.845140462e-01 -9.454170505e-01 3.76 -3.859091944e-01 -7.511601569e-01 -9.048679116e-01 3.78 -3.699229659e-01 -7.196003967e-01 -8.666808303e-01 3.80 -3.544590086e-01 -6.897016907e-01 -8.306653889e-01 3.82 -3.394756689e-01 -6.613389669e-01 -7.966447685e-01 3.84 -3.249344439e-01 -6.343958328e-01 -7.644567509e-01 3.86 -3.108004377e-01 -6.087647245e-01 -7.339538494e-01 3.88 -2.970430614e-01 -5.843466746e-01 -7.050028351e-01 3.90 -2.836369561e-01 -5.610508242e-01 -6.774838761e-01 3.92 -2.705630724e-01 -5.387937880e-01 -6.512894629e-01 3.94 -2.578097724e-01 -5.174989550e-01 -6.263232426e-01 3.96 -2.453737491e-01 -4.970957906e-01 -6.024988494e-01 3.98 -2.332605067e-01 -4.775191884e-01 -5.797387864e-01 4.00 -2.214841220e-01 -4.587089081e-01 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-1.489570890e-05 -6.652998596e-05 -9.967938614e-05 5.80 -1.271721423e-05 -5.679886645e-05 -8.509907712e-05 5.82 -1.086462583e-05 -4.852380364e-05 -7.270048504e-05 5.84 -9.288147897e-06 -4.148227714e-05 -6.215017884e-05 5.86 -7.945738088e-06 -3.548642102e-05 -5.316665660e-05 5.88 -6.801881228e-06 -3.037754199e-05 -4.551213085e-05 5.90 -5.826559054e-06 -2.602151409e-05 -3.898562737e-05 5.92 -4.994384584e-06 -2.230490921e-05 -3.341718671e-05 5.94 -4.283874645e-06 -1.913174528e-05 -2.866299133e-05 5.96 -3.676838351e-06 -1.642075279e-05 -2.460126954e-05 5.98 -3.157862870e-06 -1.410307633e-05 -2.112885119e-05 6.00 -2.713880835e-06 -1.212034103e-05 -1.815827031e-05