# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = TiWZr2 # 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 2025-12-17 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 4.378540247e+02 4.378540247e+02 1.08 4.023963189e+02 4.023963189e+02 1.10 3.699140779e+02 3.699140779e+02 1.12 3.404580689e+02 3.404580689e+02 1.14 3.128149161e+02 3.128149161e+02 1.16 2.871688960e+02 2.871688960e+02 1.18 2.641013276e+02 2.641013276e+02 1.20 2.434192128e+02 2.434192128e+02 1.22 2.243612124e+02 2.243612124e+02 1.24 2.069324878e+02 2.069324878e+02 1.26 1.910502309e+02 1.910502309e+02 1.28 1.765956744e+02 1.765956744e+02 1.30 1.634336775e+02 1.634336775e+02 1.32 1.513741077e+02 1.513741077e+02 1.34 1.403930004e+02 1.403930004e+02 1.36 1.302247360e+02 1.302247360e+02 1.38 1.208314570e+02 1.208314570e+02 1.40 1.121205952e+02 1.121205952e+02 1.42 1.042248860e+02 1.042248860e+02 1.44 9.704999471e+01 9.704999471e+01 1.46 9.029847353e+01 9.029847353e+01 1.48 8.387344262e+01 8.387344262e+01 1.50 7.775923286e+01 7.775923286e+01 1.52 7.199079536e+01 7.199079536e+01 1.54 6.667773601e+01 6.667773601e+01 1.56 6.179652382e+01 6.179652382e+01 1.58 5.725376382e+01 5.725376382e+01 1.60 5.301644007e+01 5.301644007e+01 1.62 4.910363351e+01 4.910363351e+01 1.64 4.548364976e+01 4.548364976e+01 1.66 4.208579328e+01 4.208579328e+01 1.68 3.887915326e+01 3.887915326e+01 1.70 3.593685485e+01 3.593685485e+01 1.72 3.329781421e+01 3.329781421e+01 1.74 3.087537211e+01 3.087537211e+01 1.76 2.861269715e+01 2.861269715e+01 1.78 2.653235185e+01 2.653235185e+01 1.80 2.461143878e+01 2.461143878e+01 1.82 2.279299402e+01 2.279299402e+01 1.84 2.112474556e+01 2.112474556e+01 1.86 1.954284599e+01 1.954284599e+01 1.88 1.807159097e+01 1.807159097e+01 1.90 1.667945511e+01 1.667945511e+01 1.92 1.537699511e+01 1.537699511e+01 1.94 1.420798105e+01 1.420798105e+01 1.96 1.317118969e+01 1.317118969e+01 1.98 1.220755772e+01 1.220755772e+01 2.00 1.126738161e+01 1.126738161e+01 2.02 1.037888290e+01 1.037888290e+01 2.04 9.564374815e+00 9.564374815e+00 2.06 8.801114729e+00 8.801114729e+00 2.08 8.067634938e+00 8.067634938e+00 2.10 7.385042176e+00 7.385042176e+00 2.12 6.756107827e+00 6.756107827e+00 2.14 6.098904236e+00 6.098904236e+00 2.16 5.378609003e+00 5.378609003e+00 2.18 4.584458896e+00 4.584458896e+00 2.20 3.825560120e+00 3.825560120e+00 2.22 3.104325979e+00 3.104325979e+00 2.24 2.445900974e+00 2.445900974e+00 2.26 1.834250198e+00 1.834250198e+00 2.28 1.322463690e+00 1.322463690e+00 2.30 6.311100375e-01 6.311100375e-01 2.32 4.337983898e-02 4.337983898e-02 2.34 -5.431052296e-01 -5.431052296e-01 2.36 -1.149124203e+00 -1.149124203e+00 2.38 -1.715050435e+00 -1.715050435e+00 2.40 -2.233865948e+00 -2.233865948e+00 2.42 -2.687304783e+00 -2.687304783e+00 2.44 -3.081845951e+00 -3.081845951e+00 2.46 -3.439105848e+00 -3.439105848e+00 2.48 -3.777972591e+00 -3.777972591e+00 2.50 -4.098105058e+00 -4.098105058e+00 2.52 -4.395327276e+00 -4.395327276e+00 2.54 -4.660971916e+00 -4.660971916e+00 2.56 -4.880593637e+00 -4.880593637e+00 2.58 -5.067631432e+00 -5.067631432e+00 2.60 -5.241439293e+00 -5.241439293e+00 2.62 -5.415657509e+00 -5.415657509e+00 2.64 -5.590250282e+00 -5.590250282e+00 2.66 -5.758347486e+00 -5.758347486e+00 2.68 -5.914919532e+00 -5.914919532e+00 2.70 -6.058264481e+00 -6.058264481e+00 2.72 -6.178531093e+00 -6.178531093e+00 2.74 -6.276372397e+00 -6.276372397e+00 2.76 -6.354419348e+00 -6.354419348e+00 2.78 -6.418602594e+00 -6.418602594e+00 2.80 -6.472973188e+00 -6.472973188e+00 2.82 -6.520432393e+00 -6.520432393e+00 2.84 -6.565147259e+00 -6.565147259e+00 2.86 -6.604047168e+00 -6.604047168e+00 2.88 -6.631959945e+00 -6.631959945e+00 2.90 -6.647902104e+00 -6.647902104e+00 2.92 -6.657457209e+00 -6.657457209e+00 2.94 -6.669488696e+00 -6.669488696e+00 2.96 -6.687848954e+00 -6.687848954e+00 2.98 -6.703300280e+00 -6.703300280e+00 3.00 -6.705108439e+00 -6.705108439e+00 3.02 -6.693185050e+00 -6.693185050e+00 3.04 -6.653569784e+00 -6.653569784e+00 3.06 -6.601067706e+00 -6.601067706e+00 3.08 -6.537686699e+00 -6.537686699e+00 3.10 -6.471309269e+00 -6.471309269e+00 3.12 -6.406320802e+00 -6.406320802e+00 3.14 -6.331177358e+00 -6.331177358e+00 3.16 -6.249431662e+00 -6.249431662e+00 3.18 -6.167901814e+00 -6.167901814e+00 3.20 -6.089641552e+00 -6.089641552e+00 3.22 -6.017463780e+00 -6.017463780e+00 3.24 -5.957949172e+00 -5.957949172e+00 3.26 -5.907097752e+00 -5.907097752e+00 3.28 -5.858778236e+00 -5.858778236e+00 3.30 -5.809417344e+00 -5.809417344e+00 3.32 -5.755924564e+00 -5.755924564e+00 3.34 -5.702490740e+00 -5.702490740e+00 3.36 -5.645457482e+00 -5.645457482e+00 3.38 -5.584409398e+00 -5.584409398e+00 3.40 -5.511459883e+00 -5.511459883e+00 3.42 -5.437691849e+00 -5.437691849e+00 3.44 -5.367204410e+00 -5.367204410e+00 3.46 -5.294044733e+00 -5.294044733e+00 3.48 -5.214582971e+00 -5.214582971e+00 3.50 -5.129295482e+00 -5.129295482e+00 3.52 -5.043351380e+00 -5.043351380e+00 3.54 -4.964018873e+00 -4.964018873e+00 3.56 -4.897922666e+00 -4.897922666e+00 3.58 -4.846335624e+00 -4.846335624e+00 3.60 -4.804972262e+00 -4.804972262e+00 3.62 -4.768427544e+00 -4.768427544e+00 3.64 -4.729352519e+00 -4.729352519e+00 3.66 -4.683464989e+00 -4.683464989e+00 3.68 -4.631351164e+00 -4.631351164e+00 3.70 -4.573545263e+00 -4.573545263e+00 3.72 -4.509977457e+00 -4.509977457e+00 3.74 -4.437634146e+00 -4.437634146e+00 3.76 -4.348641302e+00 -4.348641302e+00 3.78 -4.231725200e+00 -4.231725200e+00 3.80 -4.071670409e+00 -4.071670409e+00 3.82 -3.862874985e+00 -3.862874985e+00 3.84 -3.626826431e+00 -3.626826431e+00 3.86 -3.384687723e+00 -3.384687723e+00 3.88 -3.135954063e+00 -3.135954063e+00 3.90 -2.900199065e+00 -2.900199065e+00 3.92 -2.722262576e+00 -2.722262576e+00 3.94 -2.608460155e+00 -2.608460155e+00 3.96 -2.521982764e+00 -2.521982764e+00 3.98 -2.438408570e+00 -2.438408570e+00 4.00 -2.353922400e+00 -2.353922400e+00 4.02 -2.273078517e+00 -2.273078517e+00 4.04 -2.198845264e+00 -2.198845264e+00 4.06 -2.132577888e+00 -2.132577888e+00 4.08 -2.073833045e+00 -2.073833045e+00 4.10 -2.022010783e+00 -2.022010783e+00 4.12 -1.976188679e+00 -1.976188679e+00 4.14 -1.935226871e+00 -1.935226871e+00 4.16 -1.898057130e+00 -1.898057130e+00 4.18 -1.863637299e+00 -1.863637299e+00 4.20 -1.830962977e+00 -1.830962977e+00 4.22 -1.799392569e+00 -1.799392569e+00 4.24 -1.769014325e+00 -1.769014325e+00 4.26 -1.740176255e+00 -1.740176255e+00 4.28 -1.713217274e+00 -1.713217274e+00 4.30 -1.688464397e+00 -1.688464397e+00 4.32 -1.666233877e+00 -1.666233877e+00 4.34 -1.646667679e+00 -1.646667679e+00 4.36 -1.629171046e+00 -1.629171046e+00 4.38 -1.612938644e+00 -1.612938644e+00 4.40 -1.597188488e+00 -1.597188488e+00 4.42 -1.581208696e+00 -1.581208696e+00 4.44 -1.564365361e+00 -1.564365361e+00 4.46 -1.546274556e+00 -1.546274556e+00 4.48 -1.527180190e+00 -1.527180190e+00 4.50 -1.507630096e+00 -1.507630096e+00 4.52 -1.488192618e+00 -1.488192618e+00 4.54 -1.469409024e+00 -1.469409024e+00 4.56 -1.451787944e+00 -1.451787944e+00 4.58 -1.435457631e+00 -1.435457631e+00 4.60 -1.419950264e+00 -1.419950264e+00 4.62 -1.404799004e+00 -1.404799004e+00 4.64 -1.389566105e+00 -1.389566105e+00 4.66 -1.373804230e+00 -1.373804230e+00 4.68 -1.357080016e+00 -1.357080016e+00 4.70 -1.339264103e+00 -1.339264103e+00 4.72 -1.320612323e+00 -1.320612323e+00 4.74 -1.301459816e+00 -1.301459816e+00 4.76 -1.281867314e+00 -1.281867314e+00 4.78 -1.261770843e+00 -1.261770843e+00 4.80 -1.241145303e+00 -1.241145303e+00 4.82 -1.219800481e+00 -1.219800481e+00 4.84 -1.197305857e+00 -1.197305857e+00 4.86 -1.173141469e+00 -1.173141469e+00 4.88 -1.146855078e+00 -1.146855078e+00 4.90 -1.118435308e+00 -1.118435308e+00 4.92 -1.087993107e+00 -1.087993107e+00 4.94 -1.056390366e+00 -1.056390366e+00 4.96 -1.025060685e+00 -1.025060685e+00 4.98 -9.956686966e-01 -9.956686966e-01 5.00 -9.700608579e-01 -9.700608579e-01 5.02 -9.498709028e-01 -9.498709028e-01 5.04 -9.356764779e-01 -9.356764779e-01 5.06 -9.258491749e-01 -9.258491749e-01 5.08 -9.180930660e-01 -9.180930660e-01 5.10 -9.102186817e-01 -9.102186817e-01 5.12 -9.001684817e-01 -9.001684817e-01 5.14 -8.859500127e-01 -8.859500127e-01 5.16 -8.665281722e-01 -8.665281722e-01 5.18 -8.425237756e-01 -8.425237756e-01 5.20 -8.149739586e-01 -8.149739586e-01 5.22 -7.853386879e-01 -7.853386879e-01 5.24 -7.554798553e-01 -7.554798553e-01 5.26 -7.275177819e-01 -7.275177819e-01 5.28 -7.032573050e-01 -7.032573050e-01 5.30 -6.829636358e-01 -6.829636358e-01 5.32 -6.664560871e-01 -6.664560871e-01 5.34 -6.534611625e-01 -6.534611625e-01 5.36 -6.436503321e-01 -6.436503321e-01 5.38 -6.360329634e-01 -6.360329634e-01 5.40 -6.280979569e-01 -6.280979569e-01 5.42 -6.194312762e-01 -6.194312762e-01 5.44 -6.100717432e-01 -6.100717432e-01 5.46 -6.000850528e-01 -6.000850528e-01 5.48 -5.895401136e-01 -5.895401136e-01 5.50 -5.785147744e-01 -5.785147744e-01 5.52 -5.670959384e-01 -5.670959384e-01 5.54 -5.553709218e-01 -5.553709218e-01 5.56 -5.433450331e-01 -5.433450331e-01 5.58 -5.310054538e-01 -5.310054538e-01 5.60 -5.183255622e-01 -5.183255622e-01 5.62 -5.052476928e-01 -5.052476928e-01 5.64 -4.916951539e-01 -4.916951539e-01 5.66 -4.775681559e-01 -4.775681559e-01 5.68 -4.628074164e-01 -4.628074164e-01 5.70 -4.475661878e-01 -4.475661878e-01 5.72 -4.319724035e-01 -4.319724035e-01 5.74 -4.161128005e-01 -4.161128005e-01 5.76 -4.000464968e-01 -4.000464968e-01 5.78 -3.838443405e-01 -3.838443405e-01 5.80 -3.674937673e-01 -3.674937673e-01 5.82 -3.507459798e-01 -3.507459798e-01 5.84 -3.330973014e-01 -3.330973014e-01 5.86 -3.142919152e-01 -3.142919152e-01 5.88 -2.944578286e-01 -2.944578286e-01 5.90 -2.743853970e-01 -2.743853970e-01 5.92 -2.548858402e-01 -2.548858402e-01 5.94 -2.357699208e-01 -2.357699208e-01 5.96 -2.168676854e-01 -2.168676854e-01 5.98 -1.979121573e-01 -1.979121573e-01 6.00 -1.786372333e-01 -1.786372333e-01