# 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 = Au2CoPt # 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 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 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.264081567e+02 3.264081567e+02 1.30 3.032684804e+02 3.032684804e+02 1.32 2.817570192e+02 2.817570192e+02 1.34 2.617516285e+02 2.617516285e+02 1.36 2.431401861e+02 2.431401861e+02 1.38 2.258153788e+02 2.258153788e+02 1.40 2.096749382e+02 2.096749382e+02 1.42 1.946256363e+02 1.946256363e+02 1.44 1.805865729e+02 1.805865729e+02 1.46 1.674883793e+02 1.674883793e+02 1.48 1.552688863e+02 1.552688863e+02 1.50 1.438687069e+02 1.438687069e+02 1.52 1.332291839e+02 1.332291839e+02 1.54 1.232925950e+02 1.232925950e+02 1.56 1.140034874e+02 1.140034874e+02 1.58 1.053102200e+02 1.053102200e+02 1.60 9.716615021e+01 9.716615021e+01 1.62 8.953015841e+01 8.953015841e+01 1.64 8.236640086e+01 8.236640086e+01 1.66 7.564346525e+01 7.564346525e+01 1.68 6.933338768e+01 6.933338768e+01 1.70 6.341092766e+01 6.341092766e+01 1.72 5.785307446e+01 5.785307446e+01 1.74 5.264456410e+01 5.264456410e+01 1.76 4.778791962e+01 4.778791962e+01 1.78 4.331144875e+01 4.331144875e+01 1.80 3.919907977e+01 3.919907977e+01 1.82 3.541922257e+01 3.541922257e+01 1.84 3.194288972e+01 3.194288972e+01 1.86 2.874399409e+01 2.874399409e+01 1.88 2.579941045e+01 2.579941045e+01 1.90 2.308887488e+01 2.308887488e+01 1.92 2.059472307e+01 2.059472307e+01 1.94 1.830142389e+01 1.830142389e+01 1.96 1.619494962e+01 1.619494962e+01 1.98 1.426216311e+01 1.426216311e+01 2.00 1.249042437e+01 1.249042437e+01 2.02 1.086748759e+01 1.086748759e+01 2.04 9.381608720e+00 9.381608720e+00 2.06 8.021722830e+00 8.021722830e+00 2.08 6.777578033e+00 6.777578033e+00 2.10 5.639777457e+00 5.639777457e+00 2.12 4.599739863e+00 4.599739863e+00 2.14 3.649620004e+00 3.649620004e+00 2.16 2.782229492e+00 2.782229492e+00 2.18 1.990979053e+00 1.990979053e+00 2.20 1.269840990e+00 1.269840990e+00 2.22 6.133198471e-01 6.133198471e-01 2.24 1.642066982e-02 1.642066982e-02 2.26 -5.253892129e-01 -5.253892129e-01 2.28 -1.016224316e+00 -1.016224316e+00 2.30 -1.459828764e+00 -1.459828764e+00 2.32 -1.859625306e+00 -1.859625306e+00 2.34 -2.218763062e+00 -2.218763062e+00 2.36 -2.540161338e+00 -2.540161338e+00 2.38 -2.826546714e+00 -2.826546714e+00 2.40 -3.080481046e+00 -3.080481046e+00 2.42 -3.304379413e+00 -3.304379413e+00 2.44 -3.500519463e+00 -3.500519463e+00 2.46 -3.671046527e+00 -3.671046527e+00 2.48 -3.818474430e+00 -3.818474430e+00 2.50 -3.945838243e+00 -3.945838243e+00 2.52 -4.054577692e+00 -4.054577692e+00 2.54 -4.146048524e+00 -4.146048524e+00 2.56 -4.221619068e+00 -4.221619068e+00 2.58 -4.282664589e+00 -4.282664589e+00 2.60 -4.330545298e+00 -4.330545298e+00 2.62 -4.366576738e+00 -4.366576738e+00 2.64 -4.392017858e+00 -4.392017858e+00 2.66 -4.407926964e+00 -4.407926964e+00 2.68 -4.415208740e+00 -4.415208740e+00 2.70 -4.414628888e+00 -4.414628888e+00 2.72 -4.406862625e+00 -4.406862625e+00 2.74 -4.392554890e+00 -4.392554890e+00 2.76 -4.372027126e+00 -4.372027126e+00 2.78 -4.345548969e+00 -4.345548969e+00 2.80 -4.313363609e+00 -4.313363609e+00 2.82 -4.275670229e+00 -4.275670229e+00 2.84 -4.232678912e+00 -4.232678912e+00 2.86 -4.184625817e+00 -4.184625817e+00 2.88 -4.131780773e+00 -4.131780773e+00 2.90 -4.074452836e+00 -4.074452836e+00 2.92 -4.012992815e+00 -4.012992815e+00 2.94 -3.947809719e+00 -3.947809719e+00 2.96 -3.879372824e+00 -3.879372824e+00 2.98 -3.808202439e+00 -3.808202439e+00 3.00 -3.734851449e+00 -3.734851449e+00 3.02 -3.659879601e+00 -3.659879601e+00 3.04 -3.583824717e+00 -3.583824717e+00 3.06 -3.507175884e+00 -3.507175884e+00 3.08 -3.430352937e+00 -3.430352937e+00 3.10 -3.353694854e+00 -3.353694854e+00 3.12 -3.277457507e+00 -3.277457507e+00 3.14 -3.201819542e+00 -3.201819542e+00 3.16 -3.126893989e+00 -3.126893989e+00 3.18 -3.052742914e+00 -3.052742914e+00 3.20 -2.979392550e+00 -2.979392550e+00 3.22 -2.906852388e+00 -2.906852388e+00 3.24 -2.835175261e+00 -2.835175261e+00 3.26 -2.764428294e+00 -2.764428294e+00 3.28 -2.694661517e+00 -2.694661517e+00 3.30 -2.625915218e+00 -2.625915218e+00 3.32 -2.558224856e+00 -2.558224856e+00 3.34 -2.491623773e+00 -2.491623773e+00 3.36 -2.426144409e+00 -2.426144409e+00 3.38 -2.361818535e+00 -2.361818535e+00 3.40 -2.298676910e+00 -2.298676910e+00 3.42 -2.236748641e+00 -2.236748641e+00 3.44 -2.176060392e+00 -2.176060392e+00 3.46 -2.116635607e+00 -2.116635607e+00 3.48 -2.058493783e+00 -2.058493783e+00 3.50 -2.001649855e+00 -2.001649855e+00 3.52 -1.946113707e+00 -1.946113707e+00 3.54 -1.891889816e+00 -1.891889816e+00 3.56 -1.838977038e+00 -1.838977038e+00 3.58 -1.787368523e+00 -1.787368523e+00 3.60 -1.737051760e+00 -1.737051760e+00 3.62 -1.688008749e+00 -1.688008749e+00 3.64 -1.640216293e+00 -1.640216293e+00 3.66 -1.593646406e+00 -1.593646406e+00 3.68 -1.548266830e+00 -1.548266830e+00 3.70 -1.504041641e+00 -1.504041641e+00 3.72 -1.460931931e+00 -1.460931931e+00 3.74 -1.418896528e+00 -1.418896528e+00 3.76 -1.377892727e+00 -1.377892727e+00 3.78 -1.337876986e+00 -1.337876986e+00 3.80 -1.298805563e+00 -1.298805563e+00 3.82 -1.260635073e+00 -1.260635073e+00 3.84 -1.223322922e+00 -1.223322922e+00 3.86 -1.186827649e+00 -1.186827649e+00 3.88 -1.151109158e+00 -1.151109158e+00 3.90 -1.116128877e+00 -1.116128877e+00 3.92 -1.081849873e+00 -1.081849873e+00 3.94 -1.048236984e+00 -1.048236984e+00 3.96 -1.015256983e+00 -1.015256983e+00 3.98 -9.828788797e-01 -9.828788797e-01 4.00 -9.510743625e-01 -9.510743625e-01 4.02 -9.198184359e-01 -9.198184359e-01 4.04 -8.890902511e-01 -8.890902511e-01 4.06 -8.588741024e-01 -8.588741024e-01 4.08 -8.291605182e-01 -8.291605182e-01 4.10 -7.999473270e-01 -7.999473270e-01 4.12 -7.712405696e-01 -7.712405696e-01 4.14 -7.430550163e-01 -7.430550163e-01 4.16 -7.154142056e-01 -7.154142056e-01 4.18 -6.883498003e-01 -6.883498003e-01 4.20 -6.619002258e-01 -6.619002258e-01 4.22 -6.361086143e-01 -6.361086143e-01 4.24 -6.110201894e-01 -6.110201894e-01 4.26 -5.866793093e-01 -5.866793093e-01 4.28 -5.631264385e-01 -5.631264385e-01 4.30 -5.403953254e-01 -5.403953254e-01 4.32 -5.185106308e-01 -5.185106308e-01 4.34 -4.974861816e-01 -4.974861816e-01 4.36 -4.773239493e-01 -4.773239493e-01 4.38 -4.580137680e-01 -4.580137680e-01 4.40 -4.395337410e-01 -4.395337410e-01 4.42 -4.218512290e-01 -4.218512290e-01 4.44 -4.049242823e-01 -4.049242823e-01 4.46 -3.887033617e-01 -3.887033617e-01 4.48 -3.731332005e-01 -3.731332005e-01 4.50 -3.581546788e-01 -3.581546788e-01 4.52 -3.437066111e-01 -3.437066111e-01 4.54 -3.297273852e-01 -3.297273852e-01 4.56 -3.161564267e-01 -3.161564267e-01 4.58 -3.029354892e-01 -3.029354892e-01 4.60 -2.900097973e-01 -2.900097973e-01 4.62 -2.773290751e-01 -2.773290751e-01 4.64 -2.648484952e-01 -2.648484952e-01 4.66 -2.525295765e-01 -2.525295765e-01 4.68 -2.403410373e-01 -2.403410373e-01 4.70 -2.282595957e-01 -2.282595957e-01 4.72 -2.162706785e-01 -2.162706785e-01 4.74 -2.043689848e-01 -2.043689848e-01 4.76 -1.925588284e-01 -1.925588284e-01 4.78 -1.808541802e-01 -1.808541802e-01 4.80 -1.692783349e-01 -1.692783349e-01 4.82 -1.578631559e-01 -1.578631559e-01 4.84 -1.466478574e-01 -1.466478574e-01 4.86 -1.356773769e-01 -1.356773769e-01 4.88 -1.250003859e-01 -1.250003859e-01 4.90 -1.146670595e-01 -1.146670595e-01 4.92 -1.047267465e-01 -1.047267465e-01 4.94 -9.522569785e-02 -9.522569785e-02 4.96 -8.620500317e-02 -8.620500317e-02 4.98 -7.769886929e-02 -7.769886929e-02 5.00 -6.973333704e-02 -6.973333704e-02 5.02 -6.232549468e-02 -6.232549468e-02 5.04 -5.548320186e-02 -5.548320186e-02 5.06 -4.920529769e-02 -4.920529769e-02 5.08 -4.348223138e-02 -4.348223138e-02 5.10 -3.829702551e-02 -3.829702551e-02 5.12 -3.362647976e-02 -3.362647976e-02 5.14 -2.944249541e-02 -2.944249541e-02 5.16 -2.571342313e-02 -2.571342313e-02 5.18 -2.240535857e-02 -2.240535857e-02 5.20 -1.948314521e-02 -1.948314521e-02 5.22 -1.691194581e-02 -1.691194581e-02 5.24 -1.465762102e-02 -1.465762102e-02 5.26 -1.268719447e-02 -1.268719447e-02 5.28 -1.096957824e-02 -1.096957824e-02 5.30 -9.475881357e-03 -9.475881357e-03 5.32 -8.179577730e-03 -8.179577730e-03 5.34 -7.056562660e-03 -7.056562660e-03 5.36 -6.085124737e-03 -6.085124737e-03 5.38 -5.245856357e-03 -5.245856357e-03 5.40 -4.521522443e-03 -4.521522443e-03 5.42 -3.896903233e-03 -3.896903233e-03 5.44 -3.358623564e-03 -3.358623564e-03 5.46 -2.894978052e-03 -2.894978052e-03 5.48 -2.495758967e-03 -2.495758967e-03 5.50 -2.152091517e-03 -2.152091517e-03 5.52 -1.856279559e-03 -1.856279559e-03 5.54 -1.601663469e-03 -1.601663469e-03 5.56 -1.382490933e-03 -1.382490933e-03 5.58 -1.193800759e-03 -1.193800759e-03 5.60 -1.031319292e-03 -1.031319292e-03 5.62 -8.913687543e-04 -8.913687543e-04 5.64 -7.707866103e-04 -7.707866103e-04 5.66 -6.668549923e-04 -6.668549923e-04 5.68 -5.772391878e-04 -5.772391878e-04 5.70 -4.999342111e-04 -4.999342111e-04 5.72 -4.332185332e-04 -4.332185332e-04 5.74 -3.756141057e-04 -3.756141057e-04 5.76 -3.258518916e-04 -3.258518916e-04 5.78 -2.828421940e-04 -2.828421940e-04 5.80 -2.456491482e-04 -2.456491482e-04 5.82 -2.134688164e-04 -2.134688164e-04 5.84 -1.856103921e-04 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