# 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 = Mo2NiTa # 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 2.680381492e+02 2.680381492e+02 1.30 2.476443829e+02 2.476443829e+02 1.32 2.288125496e+02 2.288125496e+02 1.34 2.114070736e+02 2.114070736e+02 1.36 1.953043383e+02 1.953043383e+02 1.38 1.803928880e+02 1.803928880e+02 1.40 1.665732579e+02 1.665732579e+02 1.42 1.537571415e+02 1.537571415e+02 1.44 1.418657903e+02 1.418657903e+02 1.46 1.308279787e+02 1.308279787e+02 1.48 1.205782689e+02 1.205782689e+02 1.50 1.110562126e+02 1.110562126e+02 1.52 1.022065536e+02 1.022065536e+02 1.54 9.397982487e+01 9.397982487e+01 1.56 8.633249952e+01 8.633249952e+01 1.58 7.922630247e+01 7.922630247e+01 1.60 7.262694779e+01 7.262694779e+01 1.62 6.650282989e+01 6.650282989e+01 1.64 6.082401392e+01 6.082401392e+01 1.66 5.556161252e+01 5.556161252e+01 1.68 5.068751660e+01 5.068751660e+01 1.70 4.617440088e+01 4.617440088e+01 1.72 4.199588118e+01 4.199588118e+01 1.74 3.812670163e+01 3.812670163e+01 1.76 3.454289317e+01 3.454289317e+01 1.78 3.122191759e+01 3.122191759e+01 1.80 2.814283514e+01 2.814283514e+01 1.82 2.528794551e+01 2.528794551e+01 1.84 2.264432708e+01 2.264432708e+01 1.86 2.019889344e+01 2.019889344e+01 1.88 1.793981820e+01 1.793981820e+01 1.90 1.585397809e+01 1.585397809e+01 1.92 1.392945300e+01 1.392945300e+01 1.94 1.215519164e+01 1.215519164e+01 1.96 1.052076443e+01 1.052076443e+01 1.98 9.016221219e+00 9.016221219e+00 2.00 7.632038476e+00 7.632038476e+00 2.02 6.359123706e+00 6.359123706e+00 2.04 5.188844853e+00 5.188844853e+00 2.06 4.113061627e+00 4.113061627e+00 2.08 3.124148660e+00 3.124148660e+00 2.10 2.215013089e+00 2.215013089e+00 2.12 1.379114863e+00 1.379114863e+00 2.14 6.104926689e-01 6.104926689e-01 2.16 -9.621347794e-02 -9.621347794e-02 2.18 -7.457601112e-01 -7.457601112e-01 2.20 -1.342333197e+00 -1.342333197e+00 2.22 -1.889619133e+00 -1.889619133e+00 2.24 -2.390904118e+00 -2.390904118e+00 2.26 -2.849184689e+00 -2.849184689e+00 2.28 -3.267271715e+00 -3.267271715e+00 2.30 -3.647873562e+00 -3.647873562e+00 2.32 -3.993647887e+00 -3.993647887e+00 2.34 -4.307215365e+00 -4.307215365e+00 2.36 -4.591135173e+00 -4.591135173e+00 2.38 -4.847852316e+00 -4.847852316e+00 2.40 -5.079636185e+00 -5.079636185e+00 2.42 -5.288531504e+00 -5.288531504e+00 2.44 -5.476335025e+00 -5.476335025e+00 2.46 -5.644599308e+00 -5.644599308e+00 2.48 -5.794655957e+00 -5.794655957e+00 2.50 -5.927645638e+00 -5.927645638e+00 2.52 -6.044464085e+00 -6.044464085e+00 2.54 -6.146011714e+00 -6.146011714e+00 2.56 -6.233146542e+00 -6.233146542e+00 2.58 -6.306624615e+00 -6.306624615e+00 2.60 -6.367124422e+00 -6.367124422e+00 2.62 -6.415268508e+00 -6.415268508e+00 2.64 -6.451559276e+00 -6.451559276e+00 2.66 -6.476386782e+00 -6.476386782e+00 2.68 -6.490491584e+00 -6.490491584e+00 2.70 -6.494484861e+00 -6.494484861e+00 2.72 -6.488967729e+00 -6.488967729e+00 2.74 -6.474571295e+00 -6.474571295e+00 2.76 -6.451947133e+00 -6.451947133e+00 2.78 -6.421755644e+00 -6.421755644e+00 2.80 -6.384630211e+00 -6.384630211e+00 2.82 -6.340844588e+00 -6.340844588e+00 2.84 -6.290436469e+00 -6.290436469e+00 2.86 -6.233493546e+00 -6.233493546e+00 2.88 -6.170160545e+00 -6.170160545e+00 2.90 -6.100641710e+00 -6.100641710e+00 2.92 -6.025203556e+00 -6.025203556e+00 2.94 -5.944171259e+00 -5.944171259e+00 2.96 -5.857846604e+00 -5.857846604e+00 2.98 -5.766512531e+00 -5.766512531e+00 3.00 -5.670498430e+00 -5.670498430e+00 3.02 -5.570158075e+00 -5.570158075e+00 3.04 -5.465842888e+00 -5.465842888e+00 3.06 -5.357877255e+00 -5.357877255e+00 3.08 -5.246538729e+00 -5.246538729e+00 3.10 -5.132045224e+00 -5.132045224e+00 3.12 -5.014550149e+00 -5.014550149e+00 3.14 -4.894145353e+00 -4.894145353e+00 3.16 -4.770870851e+00 -4.770870851e+00 3.18 -4.644729864e+00 -4.644729864e+00 3.20 -4.515707583e+00 -4.515707583e+00 3.22 -4.383792173e+00 -4.383792173e+00 3.24 -4.248996681e+00 -4.248996681e+00 3.26 -4.111380593e+00 -4.111380593e+00 3.28 -3.971069763e+00 -3.971069763e+00 3.30 -3.828273372e+00 -3.828273372e+00 3.32 -3.683296494e+00 -3.683296494e+00 3.34 -3.536546907e+00 -3.536546907e+00 3.36 -3.388534975e+00 -3.388534975e+00 3.38 -3.239865839e+00 -3.239865839e+00 3.40 -3.091223745e+00 -3.091223745e+00 3.42 -2.943349072e+00 -2.943349072e+00 3.44 -2.797009450e+00 -2.797009450e+00 3.46 -2.652967086e+00 -2.652967086e+00 3.48 -2.511945091e+00 -2.511945091e+00 3.50 -2.374595801e+00 -2.374595801e+00 3.52 -2.241474075e+00 -2.241474075e+00 3.54 -2.113017944e+00 -2.113017944e+00 3.56 -1.989538181e+00 -1.989538181e+00 3.58 -1.871217276e+00 -1.871217276e+00 3.60 -1.758117250e+00 -1.758117250e+00 3.62 -1.650194872e+00 -1.650194872e+00 3.64 -1.547322265e+00 -1.547322265e+00 3.66 -1.449310587e+00 -1.449310587e+00 3.68 -1.355934556e+00 -1.355934556e+00 3.70 -1.266955761e+00 -1.266955761e+00 3.72 -1.182143144e+00 -1.182143144e+00 3.74 -1.101289420e+00 -1.101289420e+00 3.76 -1.024222652e+00 -1.024222652e+00 3.78 -9.508126362e-01 -9.508126362e-01 3.80 -8.809721262e-01 -8.809721262e-01 3.82 -8.146533072e-01 -8.146533072e-01 3.84 -7.518402744e-01 -7.518402744e-01 3.86 -6.925385565e-01 -6.925385565e-01 3.88 -6.367629517e-01 -6.367629517e-01 3.90 -5.845250547e-01 -5.845250547e-01 3.92 -5.358218162e-01 -5.358218162e-01 3.94 -4.906262820e-01 -4.906262820e-01 3.96 -4.488813102e-01 -4.488813102e-01 3.98 -4.104966266e-01 -4.104966266e-01 4.00 -3.753491166e-01 -3.753491166e-01 4.02 -3.432858702e-01 -3.432858702e-01 4.04 -3.141292284e-01 -3.141292284e-01 4.06 -2.876830235e-01 -2.876830235e-01 4.08 -2.637390597e-01 -2.637390597e-01 4.10 -2.420837410e-01 -2.420837410e-01 4.12 -2.225038588e-01 -2.225038588e-01 4.14 -2.047909683e-01 -2.047909683e-01 4.16 -1.887449541e-01 -1.887449541e-01 4.18 -1.741774802e-01 -1.741774802e-01 4.20 -1.609133439e-01 -1.609133439e-01 4.22 -1.487915617e-01 -1.487915617e-01 4.24 -1.376660245e-01 -1.376660245e-01 4.26 -1.274057393e-01 -1.274057393e-01 4.28 -1.178947997e-01 -1.178947997e-01 4.30 -1.090321913e-01 -1.090321913e-01 4.32 -1.007314956e-01 -1.007314956e-01 4.34 -9.292051388e-02 -9.292051388e-02 4.36 -8.554079679e-02 -8.554079679e-02 4.38 -7.854703241e-02 -7.854703241e-02 4.40 -7.190622754e-02 -7.190622754e-02 4.42 -6.559661458e-02 -6.559661458e-02 4.44 -5.960623438e-02 -5.960623438e-02 4.46 -5.393118452e-02 -5.393118452e-02 4.48 -4.857357483e-02 -4.857357483e-02 4.50 -4.353930172e-02 -4.353930172e-02 4.52 -3.883578794e-02 -3.883578794e-02 4.54 -3.446986149e-02 -3.446986149e-02 4.56 -3.044596844e-02 -3.044596844e-02 4.58 -2.676483524e-02 -2.676483524e-02 4.60 -2.342270388e-02 -2.342270388e-02 4.62 -2.041109972e-02 -2.041109972e-02 4.64 -1.771707446e-02 -1.771707446e-02 4.66 -1.532343652e-02 -1.532343652e-02 4.68 -1.321032872e-02 -1.321032872e-02 4.70 -1.135624475e-02 -1.135624475e-02 4.72 -9.738375174e-03 -9.738375174e-03 4.74 -8.333531448e-03 -8.333531448e-03 4.76 -7.118908493e-03 -7.118908493e-03 4.78 -6.072668447e-03 -6.072668447e-03 4.80 -5.174350651e-03 -5.174350651e-03 4.82 -4.405127592e-03 -4.405127592e-03 4.84 -3.747932008e-03 -3.747932008e-03 4.86 -3.187485272e-03 -3.187485272e-03 4.88 -2.710252542e-03 -2.710252542e-03 4.90 -2.304348501e-03 -2.304348501e-03 4.92 -1.959412639e-03 -1.959412639e-03 4.94 -1.666468747e-03 -1.666468747e-03 4.96 -1.417779443e-03 -1.417779443e-03 4.98 -1.206703232e-03 -1.206703232e-03 5.00 -1.027559006e-03 -1.027559006e-03 5.02 -8.755008831e-04 -8.755008831e-04 5.04 -7.464048324e-04 -7.464048324e-04 5.06 -6.367675162e-04 -6.367675162e-04 5.08 -5.436170905e-04 -5.436170905e-04 5.10 -4.644352897e-04 -4.644352897e-04 5.12 -3.970898810e-04 -3.970898810e-04 5.14 -3.397764634e-04 -3.397764634e-04 5.16 -2.909685644e-04 -2.909685644e-04 5.18 -2.493750212e-04 -2.493750212e-04 5.20 -2.139036988e-04 -2.139036988e-04 5.22 -1.836306818e-04 -1.836306818e-04 5.24 -1.577741677e-04 -1.577741677e-04 5.26 -1.356723771e-04 -1.356723771e-04 5.28 -1.167648887e-04 -1.167648887e-04 5.30 -1.005768787e-04 -1.005768787e-04 5.32 -8.670582353e-05 -8.670582353e-05 5.34 -7.481028481e-05 -7.481028481e-05 5.36 -6.460045221e-05 -6.460045221e-05 5.38 -5.583016960e-05 -5.583016960e-05 5.40 -4.829021122e-05 -4.829021122e-05 5.42 -4.180261080e-05 -4.180261080e-05 5.44 -3.621587746e-05 -3.621587746e-05 5.46 -3.140095812e-05 -3.140095812e-05 5.48 -2.724782845e-05 -2.724782845e-05 5.50 -2.366261305e-05 -2.366261305e-05 5.52 -2.056515143e-05 -2.056515143e-05 5.54 -1.788693943e-05 -1.788693943e-05 5.56 -1.556938711e-05 -1.556938711e-05 5.58 -1.356234350e-05 -1.356234350e-05 5.60 -1.182284645e-05 -1.182284645e-05 5.62 -1.031406250e-05 -1.031406250e-05 5.64 -9.004387131e-06 -9.004387131e-06 5.66 -7.866680762e-06 -7.866680762e-06 5.68 -6.877619305e-06 -6.877619305e-06 5.70 -6.017141828e-06 -6.017141828e-06 5.72 -5.267980376e-06 -5.267980376e-06 5.74 -4.615259446e-06 -4.615259446e-06 5.76 -4.046154506e-06 -4.046154506e-06 5.78 -3.549600653e-06 -3.549600653e-06 5.80 -3.116043835e-06 -3.116043835e-06 5.82 -2.737228261e-06 -2.737228261e-06 5.84 -2.406014592e-06 -2.406014592e-06 5.86 -2.116224329e-06 -2.116224329e-06 5.88 -1.862506530e-06 -1.862506530e-06 5.90 -1.640223552e-06 -1.640223552e-06 5.92 -1.445353036e-06 -1.445353036e-06 5.94 -1.274403757e-06 -1.274403757e-06 5.96 -1.124343324e-06 -1.124343324e-06 5.98 -9.925360125e-07 -9.925360125e-07 6.00 -8.766892720e-07 -8.766892720e-07