# 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 = AlMg2Mo # 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 2.881556855e+02 2.881556855e+02 1.30 2.672958734e+02 2.672958734e+02 1.32 2.479898244e+02 2.479898244e+02 1.34 2.301147738e+02 2.301147738e+02 1.36 2.135570208e+02 2.135570208e+02 1.38 1.982118185e+02 1.982118185e+02 1.40 1.839828574e+02 1.839828574e+02 1.42 1.707813625e+02 1.707813625e+02 1.44 1.585251372e+02 1.585251372e+02 1.46 1.471380080e+02 1.471380080e+02 1.48 1.365501065e+02 1.365501065e+02 1.50 1.266987196e+02 1.266987196e+02 1.52 1.175286868e+02 1.175286868e+02 1.54 1.089916768e+02 1.089916768e+02 1.56 1.010447373e+02 1.010447373e+02 1.58 9.364884214e+01 9.364884214e+01 1.60 8.676777728e+01 8.676777728e+01 1.62 8.036795416e+01 8.036795416e+01 1.64 7.441874970e+01 7.441874970e+01 1.66 6.888878417e+01 6.888878417e+01 1.68 6.374832820e+01 6.374832820e+01 1.70 5.897062358e+01 5.897062358e+01 1.72 5.452965190e+01 5.452965190e+01 1.74 5.040134082e+01 5.040134082e+01 1.76 4.656338666e+01 4.656338666e+01 1.78 4.299492481e+01 4.299492481e+01 1.80 3.967637353e+01 3.967637353e+01 1.82 3.658947544e+01 3.658947544e+01 1.84 3.371742398e+01 3.371742398e+01 1.86 3.104495459e+01 3.104495459e+01 1.88 2.855829273e+01 2.855829273e+01 1.90 2.624494698e+01 2.624494698e+01 1.92 2.409340691e+01 2.409340691e+01 1.94 2.209285423e+01 2.209285423e+01 1.96 2.023298453e+01 2.023298453e+01 1.98 1.850397415e+01 1.850397415e+01 2.00 1.689654886e+01 1.689654886e+01 2.02 1.540207203e+01 1.540207203e+01 2.04 1.401258110e+01 1.401258110e+01 2.06 1.272074265e+01 1.272074265e+01 2.08 1.151974751e+01 1.151974751e+01 2.10 1.040320286e+01 1.040320286e+01 2.12 9.365065914e+00 9.365065914e+00 2.14 8.399635461e+00 8.399635461e+00 2.16 7.501584783e+00 7.501584783e+00 2.18 6.666002625e+00 6.666002625e+00 2.20 5.888419445e+00 5.888419445e+00 2.22 5.164803137e+00 5.164803137e+00 2.24 4.491530977e+00 4.491530977e+00 2.26 3.865346576e+00 3.865346576e+00 2.28 3.283309963e+00 3.283309963e+00 2.30 2.742753378e+00 2.742753378e+00 2.32 2.241239972e+00 2.241239972e+00 2.34 1.776646907e+00 1.776646907e+00 2.36 1.346818261e+00 1.346818261e+00 2.38 9.496593163e-01 9.496593163e-01 2.40 5.832090605e-01 5.832090605e-01 2.42 2.456087654e-01 2.456087654e-01 2.44 -6.492203629e-02 -6.492203629e-02 2.46 -3.501042035e-01 -3.501042035e-01 2.48 -6.116085516e-01 -6.116085516e-01 2.50 -8.509924873e-01 -8.509924873e-01 2.52 -1.069623019e+00 -1.069623019e+00 2.54 -1.268839270e+00 -1.268839270e+00 2.56 -1.449969647e+00 -1.449969647e+00 2.58 -1.614319113e+00 -1.614319113e+00 2.60 -1.763152964e+00 -1.763152964e+00 2.62 -1.897674930e+00 -1.897674930e+00 2.64 -2.019003014e+00 -2.019003014e+00 2.66 -2.128265583e+00 -2.128265583e+00 2.68 -2.227074769e+00 -2.227074769e+00 2.70 -2.316019716e+00 -2.316019716e+00 2.72 -2.395443110e+00 -2.395443110e+00 2.74 -2.465644569e+00 -2.465644569e+00 2.76 -2.526895730e+00 -2.526895730e+00 2.78 -2.579453457e+00 -2.579453457e+00 2.80 -2.623570815e+00 -2.623570815e+00 2.82 -2.659515905e+00 -2.659515905e+00 2.84 -2.687583424e+00 -2.687583424e+00 2.86 -2.708075394e+00 -2.708075394e+00 2.88 -2.721303982e+00 -2.721303982e+00 2.90 -2.727597459e+00 -2.727597459e+00 2.92 -2.727307351e+00 -2.727307351e+00 2.94 -2.720816156e+00 -2.720816156e+00 2.96 -2.708544511e+00 -2.708544511e+00 2.98 -2.690956308e+00 -2.690956308e+00 3.00 -2.668560054e+00 -2.668560054e+00 3.02 -2.641904797e+00 -2.641904797e+00 3.04 -2.611569170e+00 -2.611569170e+00 3.06 -2.578145008e+00 -2.578145008e+00 3.08 -2.542212742e+00 -2.542212742e+00 3.10 -2.504317596e+00 -2.504317596e+00 3.12 -2.464945664e+00 -2.464945664e+00 3.14 -2.424508823e+00 -2.424508823e+00 3.16 -2.383333479e+00 -2.383333479e+00 3.18 -2.341664035e+00 -2.341664035e+00 3.20 -2.299671534e+00 -2.299671534e+00 3.22 -2.257468147e+00 -2.257468147e+00 3.24 -2.215123836e+00 -2.215123836e+00 3.26 -2.172682542e+00 -2.172682542e+00 3.28 -2.130176007e+00 -2.130176007e+00 3.30 -2.087651709e+00 -2.087651709e+00 3.32 -2.045176962e+00 -2.045176962e+00 3.34 -2.002736827e+00 -2.002736827e+00 3.36 -1.960328922e+00 -1.960328922e+00 3.38 -1.917971522e+00 -1.917971522e+00 3.40 -1.875703483e+00 -1.875703483e+00 3.42 -1.833582700e+00 -1.833582700e+00 3.44 -1.791615043e+00 -1.791615043e+00 3.46 -1.749722822e+00 -1.749722822e+00 3.48 -1.707874019e+00 -1.707874019e+00 3.50 -1.666089619e+00 -1.666089619e+00 3.52 -1.624434605e+00 -1.624434605e+00 3.54 -1.583006726e+00 -1.583006726e+00 3.56 -1.541924217e+00 -1.541924217e+00 3.58 -1.501313789e+00 -1.501313789e+00 3.60 -1.461299984e+00 -1.461299984e+00 3.62 -1.421996683e+00 -1.421996683e+00 3.64 -1.383501138e+00 -1.383501138e+00 3.66 -1.345890538e+00 -1.345890538e+00 3.68 -1.309220816e+00 -1.309220816e+00 3.70 -1.273527256e+00 -1.273527256e+00 3.72 -1.238826382e+00 -1.238826382e+00 3.74 -1.205118627e+00 -1.205118627e+00 3.76 -1.172391364e+00 -1.172391364e+00 3.78 -1.140621960e+00 -1.140621960e+00 3.80 -1.109780588e+00 -1.109780588e+00 3.82 -1.079832662e+00 -1.079832662e+00 3.84 -1.050740756e+00 -1.050740756e+00 3.86 -1.022466007e+00 -1.022466007e+00 3.88 -9.949690082e-01 -9.949690082e-01 3.90 -9.682102820e-01 -9.682102820e-01 3.92 -9.421502664e-01 -9.421502664e-01 3.94 -9.167501174e-01 -9.167501174e-01 3.96 -8.919704600e-01 -8.919704600e-01 3.98 -8.677723314e-01 -8.677723314e-01 4.00 -8.441171367e-01 -8.441171367e-01 4.02 -8.209669725e-01 -8.209669725e-01 4.04 -7.982850705e-01 -7.982850705e-01 4.06 -7.760363345e-01 -7.760363345e-01 4.08 -7.541879564e-01 -7.541879564e-01 4.10 -7.327094331e-01 -7.327094331e-01 4.12 -7.115761238e-01 -7.115761238e-01 4.14 -6.907656173e-01 -6.907656173e-01 4.16 -6.702617096e-01 -6.702617096e-01 4.18 -6.500543863e-01 -6.500543863e-01 4.20 -6.301405436e-01 -6.301405436e-01 4.22 -6.105245004e-01 -6.105245004e-01 4.24 -5.912181764e-01 -5.912181764e-01 4.26 -5.722408139e-01 -5.722408139e-01 4.28 -5.536181521e-01 -5.536181521e-01 4.30 -5.353810192e-01 -5.353810192e-01 4.32 -5.175633905e-01 -5.175633905e-01 4.34 -5.002000484e-01 -5.002000484e-01 4.36 -4.833240561e-01 -4.833240561e-01 4.38 -4.669643061e-01 -4.669643061e-01 4.40 -4.511433988e-01 -4.511433988e-01 4.42 -4.358760624e-01 -4.358760624e-01 4.44 -4.211682386e-01 -4.211682386e-01 4.46 -4.070168613e-01 -4.070168613e-01 4.48 -3.934102613e-01 -3.934102613e-01 4.50 -3.803290622e-01 -3.803290622e-01 4.52 -3.677474024e-01 -3.677474024e-01 4.54 -3.556343133e-01 -3.556343133e-01 4.56 -3.439551116e-01 -3.439551116e-01 4.58 -3.326727007e-01 -3.326727007e-01 4.60 -3.217487196e-01 -3.217487196e-01 4.62 -3.111445146e-01 -3.111445146e-01 4.64 -3.008219401e-01 -3.008219401e-01 4.66 -2.907440150e-01 -2.907440150e-01 4.68 -2.808754711e-01 -2.808754711e-01 4.70 -2.711832343e-01 -2.711832343e-01 4.72 -2.616368750e-01 -2.616368750e-01 4.74 -2.522090589e-01 -2.522090589e-01 4.76 -2.428760173e-01 -2.428760173e-01 4.78 -2.336180439e-01 -2.336180439e-01 4.80 -2.244196310e-01 -2.244196310e-01 4.82 -2.152715658e-01 -2.152715658e-01 4.84 -2.061689142e-01 -2.061689142e-01 4.86 -1.971131386e-01 -1.971131386e-01 4.88 -1.881118617e-01 -1.881118617e-01 4.90 -1.791788716e-01 -1.791788716e-01 4.92 -1.703338520e-01 -1.703338520e-01 4.94 -1.616017965e-01 -1.616017965e-01 4.96 -1.530120933e-01 -1.530120933e-01 4.98 -1.445973029e-01 -1.445973029e-01 5.00 -1.363916866e-01 -1.363916866e-01 5.02 -1.284295852e-01 -1.284295852e-01 5.04 -1.207437660e-01 -1.207437660e-01 5.06 -1.133638726e-01 -1.133638726e-01 5.08 -1.063150988e-01 -1.063150988e-01 5.10 -9.961718663e-02 -9.961718663e-02 5.12 -9.328380637e-02 -9.328380637e-02 5.14 -8.732233805e-02 -8.732233805e-02 5.16 -8.173402753e-02 -8.173402753e-02 5.18 -7.651445887e-02 -7.651445887e-02 5.20 -7.165427027e-02 -7.165427027e-02 5.22 -6.714001287e-02 -6.714001287e-02 5.24 -6.295506228e-02 -6.295506228e-02 5.26 -5.908056649e-02 -5.908056649e-02 5.28 -5.549631144e-02 -5.549631144e-02 5.30 -5.218148767e-02 -5.218148767e-02 5.32 -4.911521877e-02 -4.911521877e-02 5.34 -4.627610631e-02 -4.627610631e-02 5.36 -4.364538964e-02 -4.364538964e-02 5.38 -4.120573927e-02 -4.120573927e-02 5.40 -3.894094095e-02 -3.894094095e-02 5.42 -3.683606753e-02 -3.683606753e-02 5.44 -3.487754355e-02 -3.487754355e-02 5.46 -3.305312758e-02 -3.305312758e-02 5.48 -3.135183484e-02 -3.135183484e-02 5.50 -2.976382043e-02 -2.976382043e-02 5.52 -2.828024098e-02 -2.828024098e-02 5.54 -2.689311022e-02 -2.689311022e-02 5.56 -2.559516060e-02 -2.559516060e-02 5.58 -2.437972011e-02 -2.437972011e-02 5.60 -2.324060961e-02 -2.324060961e-02 5.62 -2.217206293e-02 -2.217206293e-02 5.64 -2.116866893e-02 -2.116866893e-02 5.66 -2.022533284e-02 -2.022533284e-02 5.68 -1.933725255e-02 -1.933725255e-02 5.70 -1.849990570e-02 -1.849990570e-02 5.72 -1.770904301e-02 -1.770904301e-02 5.74 -1.696068398e-02 -1.696068398e-02 5.76 -1.625107754e-02 -1.625107754e-02 5.78 -1.557675546e-02 -1.557675546e-02 5.80 -1.493452820e-02 -1.493452820e-02 5.82 -1.432144897e-02 -1.432144897e-02 5.84 -1.373480241e-02 -1.373480241e-02 5.86 -1.317209180e-02 -1.317209180e-02 5.88 -1.263102559e-02 -1.263102559e-02 5.90 -1.210950411e-02 -1.210950411e-02 5.92 -1.160560694e-02 -1.160560694e-02 5.94 -1.111758181e-02 -1.111758181e-02 5.96 -1.064383531e-02 -1.064383531e-02 5.98 -1.018292597e-02 -1.018292597e-02 6.00 -9.733559783e-03 -9.733559783e-03