# 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 = NiPt2W # 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 3.721604649e+02 3.721604649e+02 1.30 3.467255251e+02 3.467255251e+02 1.32 3.229800926e+02 3.229800926e+02 1.34 3.008042419e+02 3.008042419e+02 1.36 2.800993071e+02 2.800993071e+02 1.38 2.607788453e+02 2.607788453e+02 1.40 2.427621375e+02 2.427621375e+02 1.42 2.259698407e+02 2.259698407e+02 1.44 2.103197640e+02 2.103197640e+02 1.46 1.957260527e+02 1.957260527e+02 1.48 1.821040831e+02 1.821040831e+02 1.50 1.693762647e+02 1.693762647e+02 1.52 1.574732568e+02 1.574732568e+02 1.54 1.463311601e+02 1.463311601e+02 1.56 1.358888070e+02 1.358888070e+02 1.58 1.260872185e+02 1.260872185e+02 1.60 1.168703199e+02 1.168703199e+02 1.62 1.081857535e+02 1.081857535e+02 1.64 9.998573028e+01 9.998573028e+01 1.66 9.222818278e+01 9.222818278e+01 1.68 8.487799049e+01 8.487799049e+01 1.70 7.790767188e+01 7.790767188e+01 1.72 7.129700430e+01 7.129700430e+01 1.74 6.503142833e+01 6.503142833e+01 1.76 5.909978704e+01 5.909978704e+01 1.78 5.349280210e+01 5.349280210e+01 1.80 4.820171394e+01 4.820171394e+01 1.82 4.321779378e+01 4.321779378e+01 1.84 3.854554437e+01 3.854554437e+01 1.86 3.427970693e+01 3.427970693e+01 1.88 3.041540642e+01 3.041540642e+01 1.90 2.692079854e+01 2.692079854e+01 1.92 2.376333546e+01 2.376333546e+01 1.94 2.091001424e+01 2.091001424e+01 1.96 1.832844437e+01 1.832844437e+01 1.98 1.598831129e+01 1.598831129e+01 2.00 1.386255651e+01 1.386255651e+01 2.02 1.192786595e+01 1.192786595e+01 2.04 1.016450302e+01 1.016450302e+01 2.06 8.555769180e+00 8.555769180e+00 2.08 7.087366712e+00 7.087366712e+00 2.10 5.746821694e+00 5.746821694e+00 2.12 4.523030127e+00 4.523030127e+00 2.14 3.405945743e+00 3.405945743e+00 2.16 2.386406827e+00 2.386406827e+00 2.18 1.456073898e+00 1.456073898e+00 2.20 6.074266779e-01 6.074266779e-01 2.22 -1.662333110e-01 -1.662333110e-01 2.24 -8.708071211e-01 -8.708071211e-01 2.26 -1.511456477e+00 -1.511456477e+00 2.28 -2.092688370e+00 -2.092688370e+00 2.30 -2.618457642e+00 -2.618457642e+00 2.32 -3.092280917e+00 -3.092280917e+00 2.34 -3.517353654e+00 -3.517353654e+00 2.36 -3.896658605e+00 -3.896658605e+00 2.38 -4.233053962e+00 -4.233053962e+00 2.40 -4.529335823e+00 -4.529335823e+00 2.42 -4.788223944e+00 -4.788223944e+00 2.44 -5.012480034e+00 -5.012480034e+00 2.46 -5.204970490e+00 -5.204970490e+00 2.48 -5.368571505e+00 -5.368571505e+00 2.50 -5.506157760e+00 -5.506157760e+00 2.52 -5.620567761e+00 -5.620567761e+00 2.54 -5.714541478e+00 -5.714541478e+00 2.56 -5.790634904e+00 -5.790634904e+00 2.58 -5.851086791e+00 -5.851086791e+00 2.60 -5.897590997e+00 -5.897590997e+00 2.62 -5.932911576e+00 -5.932911576e+00 2.64 -5.959243396e+00 -5.959243396e+00 2.66 -5.976776487e+00 -5.976776487e+00 2.68 -5.985645038e+00 -5.985645038e+00 2.70 -5.985967938e+00 -5.985967938e+00 2.72 -5.977880010e+00 -5.977880010e+00 2.74 -5.961547730e+00 -5.961547730e+00 2.76 -5.937173281e+00 -5.937173281e+00 2.78 -5.904990916e+00 -5.904990916e+00 2.80 -5.865257355e+00 -5.865257355e+00 2.82 -5.818244514e+00 -5.818244514e+00 2.84 -5.764238661e+00 -5.764238661e+00 2.86 -5.703547250e+00 -5.703547250e+00 2.88 -5.636446835e+00 -5.636446835e+00 2.90 -5.563140230e+00 -5.563140230e+00 2.92 -5.483916556e+00 -5.483916556e+00 2.94 -5.399181714e+00 -5.399181714e+00 2.96 -5.309457298e+00 -5.309457298e+00 2.98 -5.215363630e+00 -5.215363630e+00 3.00 -5.117586093e+00 -5.117586093e+00 3.02 -5.016829107e+00 -5.016829107e+00 3.04 -4.913766336e+00 -4.913766336e+00 3.06 -4.808997039e+00 -4.808997039e+00 3.08 -4.703016171e+00 -4.703016171e+00 3.10 -4.596201472e+00 -4.596201472e+00 3.12 -4.488816067e+00 -4.488816067e+00 3.14 -4.381022296e+00 -4.381022296e+00 3.16 -4.272901644e+00 -4.272901644e+00 3.18 -4.164476603e+00 -4.164476603e+00 3.20 -4.055731676e+00 -4.055731676e+00 3.22 -3.946632226e+00 -3.946632226e+00 3.24 -3.837140824e+00 -3.837140824e+00 3.26 -3.727231272e+00 -3.727231272e+00 3.28 -3.616900574e+00 -3.616900574e+00 3.30 -3.506179024e+00 -3.506179024e+00 3.32 -3.395138353e+00 -3.395138353e+00 3.34 -3.283897657e+00 -3.283897657e+00 3.36 -3.172626727e+00 -3.172626727e+00 3.38 -3.061627937e+00 -3.061627937e+00 3.40 -2.951544098e+00 -2.951544098e+00 3.42 -2.843064259e+00 -2.843064259e+00 3.44 -2.736825529e+00 -2.736825529e+00 3.46 -2.633396433e+00 -2.633396433e+00 3.48 -2.533260989e+00 -2.533260989e+00 3.50 -2.436805927e+00 -2.436805927e+00 3.52 -2.344312913e+00 -2.344312913e+00 3.54 -2.255956825e+00 -2.255956825e+00 3.56 -2.171810179e+00 -2.171810179e+00 3.58 -2.091852933e+00 -2.091852933e+00 3.60 -2.015986301e+00 -2.015986301e+00 3.62 -1.944048874e+00 -1.944048874e+00 3.64 -1.875833389e+00 -1.875833389e+00 3.66 -1.811102756e+00 -1.811102756e+00 3.68 -1.749604346e+00 -1.749604346e+00 3.70 -1.691082011e+00 -1.691082011e+00 3.72 -1.635285640e+00 -1.635285640e+00 3.74 -1.581978357e+00 -1.581978357e+00 3.76 -1.530941592e+00 -1.530941592e+00 3.78 -1.481978314e+00 -1.481978314e+00 3.80 -1.434914684e+00 -1.434914684e+00 3.82 -1.389600332e+00 -1.389600332e+00 3.84 -1.345907428e+00 -1.345907428e+00 3.86 -1.303728702e+00 -1.303728702e+00 3.88 -1.262974620e+00 -1.262974620e+00 3.90 -1.223569995e+00 -1.223569995e+00 3.92 -1.185450393e+00 -1.185450393e+00 3.94 -1.148558768e+00 -1.148558768e+00 3.96 -1.112842660e+00 -1.112842660e+00 3.98 -1.078252292e+00 -1.078252292e+00 4.00 -1.044739635e+00 -1.044739635e+00 4.02 -1.012258408e+00 -1.012258408e+00 4.04 -9.807647776e-01 -9.807647776e-01 4.06 -9.502184550e-01 -9.502184550e-01 4.08 -9.205838391e-01 -9.205838391e-01 4.10 -8.918308815e-01 -8.918308815e-01 4.12 -8.639354658e-01 -8.639354658e-01 4.14 -8.368790453e-01 -8.368790453e-01 4.16 -8.106476575e-01 -8.106476575e-01 4.18 -7.852302897e-01 -7.852302897e-01 4.20 -7.606168380e-01 -7.606168380e-01 4.22 -7.367959250e-01 -7.367959250e-01 4.24 -7.137528713e-01 -7.137528713e-01 4.26 -6.914680875e-01 -6.914680875e-01 4.28 -6.699160694e-01 -6.699160694e-01 4.30 -6.490650663e-01 -6.490650663e-01 4.32 -6.288773752e-01 -6.288773752e-01 4.34 -6.093101245e-01 -6.093101245e-01 4.36 -5.903163577e-01 -5.903163577e-01 4.38 -5.718462236e-01 -5.718462236e-01 4.40 -5.538481086e-01 -5.538481086e-01 4.42 -5.362695970e-01 -5.362695970e-01 4.44 -5.190582071e-01 -5.190582071e-01 4.46 -5.021619019e-01 -5.021619019e-01 4.48 -4.855294191e-01 -4.855294191e-01 4.50 -4.691104966e-01 -4.691104966e-01 4.52 -4.528560822e-01 -4.528560822e-01 4.54 -4.367186227e-01 -4.367186227e-01 4.56 -4.206525159e-01 -4.206525159e-01 4.58 -4.046147901e-01 -4.046147901e-01 4.60 -3.885660469e-01 -3.885660469e-01 4.62 -3.724717279e-01 -3.724717279e-01 4.64 -3.563035825e-01 -3.563035825e-01 4.66 -3.400413611e-01 -3.400413611e-01 4.68 -3.236751169e-01 -3.236751169e-01 4.70 -3.072072040e-01 -3.072072040e-01 4.72 -2.906507440e-01 -2.906507440e-01 4.74 -2.740337997e-01 -2.740337997e-01 4.76 -2.574000023e-01 -2.574000023e-01 4.78 -2.408082059e-01 -2.408082059e-01 4.80 -2.243313008e-01 -2.243313008e-01 4.82 -2.080540827e-01 -2.080540827e-01 4.84 -1.920701709e-01 -1.920701709e-01 4.86 -1.764781241e-01 -1.764781241e-01 4.88 -1.613769954e-01 -1.613769954e-01 4.90 -1.468616832e-01 -1.468616832e-01 4.92 -1.330184765e-01 -1.330184765e-01 4.94 -1.199211861e-01 -1.199211861e-01 4.96 -1.076281822e-01 -1.076281822e-01 4.98 -9.618054590e-02 -9.618054590e-02 5.00 -8.560140311e-02 -8.560140311e-02 5.02 -7.589637793e-02 -7.589637793e-02 5.04 -6.705498987e-02 -6.705498987e-02 5.06 -5.905275231e-02 -5.905275231e-02 5.08 -5.185370171e-02 -5.185370171e-02 5.10 -4.541309929e-02 -4.541309929e-02 5.12 -3.968008606e-02 -3.968008606e-02 5.14 -3.460012658e-02 -3.460012658e-02 5.16 -3.011713476e-02 -3.011713476e-02 5.18 -2.617522803e-02 -2.617522803e-02 5.20 -2.272009617e-02 -2.272009617e-02 5.22 -1.970001237e-02 -1.970001237e-02 5.24 -1.706652001e-02 -1.706652001e-02 5.26 -1.477473597e-02 -1.477473597e-02 5.28 -1.278341757e-02 -1.278341757e-02 5.30 -1.105588871e-02 -1.105588871e-02 5.32 -9.559176917e-03 -9.559176917e-03 5.34 -8.263809478e-03 -8.263809478e-03 5.36 -7.143628784e-03 -7.143628784e-03 5.38 -6.175554560e-03 -6.175554560e-03 5.40 -5.339319482e-03 -5.339319482e-03 5.42 -4.617196772e-03 -4.617196772e-03 5.44 -3.993732382e-03 -3.993732382e-03 5.46 -3.455489883e-03 -3.455489883e-03 5.48 -2.990812888e-03 -2.990812888e-03 5.50 -2.589607499e-03 -2.589607499e-03 5.52 -2.243145674e-03 -2.243145674e-03 5.54 -1.943889259e-03 -1.943889259e-03 5.56 -1.685333804e-03 -1.685333804e-03 5.58 -1.461870826e-03 -1.461870826e-03 5.60 -1.268666966e-03 -1.268666966e-03 5.62 -1.101558438e-03 -1.101558438e-03 5.64 -9.569591495e-04 -9.569591495e-04 5.66 -8.317809426e-04 -8.317809426e-04 5.68 -7.233645383e-04 -7.233645383e-04 5.70 -6.294198445e-04 -6.294198445e-04 5.72 -5.479744464e-04 -5.479744464e-04 5.74 -4.773292109e-04 -4.773292109e-04 5.76 -4.160200600e-04 -4.160200600e-04 5.78 -3.627850816e-04 -3.627850816e-04 5.80 -3.165362491e-04 -3.165362491e-04 5.82 -2.763351134e-04 -2.763351134e-04 5.84 -2.413719165e-04 -2.413719165e-04 5.86 -2.109476467e-04 -2.109476467e-04 5.88 -1.844586233e-04 -1.844586233e-04 5.90 -1.613832526e-04 -1.613832526e-04 5.92 -1.412706502e-04 -1.412706502e-04 5.94 -1.237308628e-04 -1.237308628e-04 5.96 -1.084264647e-04 -1.084264647e-04 5.98 -9.506533213e-05 -9.506533213e-05 6.00 -8.339443051e-05 -8.339443051e-05