# 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 = Ni2PbZr # 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 2.627957660e+02 2.627957660e+02 1.30 2.442457250e+02 2.442457250e+02 1.32 2.270348436e+02 2.270348436e+02 1.34 2.110572941e+02 2.110572941e+02 1.36 1.962180616e+02 1.962180616e+02 1.38 1.824306455e+02 1.824306455e+02 1.40 1.696155470e+02 1.696155470e+02 1.42 1.576996680e+02 1.576996680e+02 1.44 1.466156095e+02 1.466156095e+02 1.46 1.363010074e+02 1.363010074e+02 1.48 1.266983576e+02 1.266983576e+02 1.50 1.177550565e+02 1.177550565e+02 1.52 1.094230563e+02 1.094230563e+02 1.54 1.016581518e+02 1.016581518e+02 1.56 9.441912445e+01 9.441912445e+01 1.58 8.766736238e+01 8.766736238e+01 1.60 8.136695819e+01 8.136695819e+01 1.62 7.548508330e+01 7.548508330e+01 1.64 6.999216412e+01 6.999216412e+01 1.66 6.486164807e+01 6.486164807e+01 1.68 6.006936083e+01 6.006936083e+01 1.70 5.559274671e+01 5.559274671e+01 1.72 5.141035748e+01 5.141035748e+01 1.74 4.750174145e+01 4.750174145e+01 1.76 4.384775999e+01 4.384775999e+01 1.78 4.043131706e+01 4.043131706e+01 1.80 3.723662405e+01 3.723662405e+01 1.82 3.425281143e+01 3.425281143e+01 1.84 3.147079454e+01 3.147079454e+01 1.86 2.887795470e+01 2.887795470e+01 1.88 2.646226224e+01 2.646226224e+01 1.90 2.421216211e+01 2.421216211e+01 1.92 2.211654237e+01 2.211654237e+01 1.94 2.016482578e+01 2.016482578e+01 1.96 1.834701353e+01 1.834701353e+01 1.98 1.665375924e+01 1.665375924e+01 2.00 1.507641864e+01 1.507641864e+01 2.02 1.360705069e+01 1.360705069e+01 2.04 1.223837292e+01 1.223837292e+01 2.06 1.096368941e+01 1.096368941e+01 2.08 9.776823036e+00 9.776823036e+00 2.10 8.672043332e+00 8.672043332e+00 2.12 7.644043356e+00 7.644043356e+00 2.14 6.687907979e+00 6.687907979e+00 2.16 5.799095740e+00 5.799095740e+00 2.18 4.973395756e+00 4.973395756e+00 2.20 4.206869788e+00 4.206869788e+00 2.22 3.495782088e+00 3.495782088e+00 2.24 2.836558045e+00 2.836558045e+00 2.26 2.225779199e+00 2.225779199e+00 2.28 1.660211084e+00 1.660211084e+00 2.30 1.136827416e+00 1.136827416e+00 2.32 6.528059568e-01 6.528059568e-01 2.34 2.055343909e-01 2.055343909e-01 2.36 -2.074363770e-01 -2.074363770e-01 2.38 -5.884088698e-01 -5.884088698e-01 2.40 -9.395460088e-01 -9.395460088e-01 2.42 -1.262871818e+00 -1.262871818e+00 2.44 -1.560265929e+00 -1.560265929e+00 2.46 -1.833473561e+00 -1.833473561e+00 2.48 -2.084119089e+00 -2.084119089e+00 2.50 -2.313779836e+00 -2.313779836e+00 2.52 -2.523863161e+00 -2.523863161e+00 2.54 -2.715625583e+00 -2.715625583e+00 2.56 -2.890243986e+00 -2.890243986e+00 2.58 -3.048806895e+00 -3.048806895e+00 2.60 -3.192314906e+00 -3.192314906e+00 2.62 -3.321689243e+00 -3.321689243e+00 2.64 -3.437798887e+00 -3.437798887e+00 2.66 -3.541387355e+00 -3.541387355e+00 2.68 -3.633087137e+00 -3.633087137e+00 2.70 -3.713554484e+00 -3.713554484e+00 2.72 -3.783478439e+00 -3.783478439e+00 2.74 -3.843570917e+00 -3.843570917e+00 2.76 -3.894549610e+00 -3.894549610e+00 2.78 -3.937110494e+00 -3.937110494e+00 2.80 -3.971918513e+00 -3.971918513e+00 2.82 -3.999578632e+00 -3.999578632e+00 2.84 -4.020637009e+00 -4.020637009e+00 2.86 -4.035579591e+00 -4.035579591e+00 2.88 -4.044839793e+00 -4.044839793e+00 2.90 -4.048809186e+00 -4.048809186e+00 2.92 -4.047846950e+00 -4.047846950e+00 2.94 -4.042211716e+00 -4.042211716e+00 2.96 -4.032042926e+00 -4.032042926e+00 2.98 -4.017494791e+00 -4.017494791e+00 3.00 -3.998744179e+00 -3.998744179e+00 3.02 -3.975985873e+00 -3.975985873e+00 3.04 -3.949426636e+00 -3.949426636e+00 3.06 -3.919288692e+00 -3.919288692e+00 3.08 -3.885795644e+00 -3.885795644e+00 3.10 -3.849178364e+00 -3.849178364e+00 3.12 -3.809669097e+00 -3.809669097e+00 3.14 -3.767510423e+00 -3.767510423e+00 3.16 -3.722938702e+00 -3.722938702e+00 3.18 -3.676194456e+00 -3.676194456e+00 3.20 -3.627518219e+00 -3.627518219e+00 3.22 -3.577149277e+00 -3.577149277e+00 3.24 -3.525324422e+00 -3.525324422e+00 3.26 -3.472276717e+00 -3.472276717e+00 3.28 -3.418233952e+00 -3.418233952e+00 3.30 -3.363416194e+00 -3.363416194e+00 3.32 -3.308043901e+00 -3.308043901e+00 3.34 -3.252331146e+00 -3.252331146e+00 3.36 -3.196417664e+00 -3.196417664e+00 3.38 -3.140419538e+00 -3.140419538e+00 3.40 -3.084427711e+00 -3.084427711e+00 3.42 -3.028511442e+00 -3.028511442e+00 3.44 -2.972711812e+00 -2.972711812e+00 3.46 -2.917050668e+00 -2.917050668e+00 3.48 -2.861533546e+00 -2.861533546e+00 3.50 -2.806152127e+00 -2.806152127e+00 3.52 -2.750883702e+00 -2.750883702e+00 3.54 -2.695703083e+00 -2.695703083e+00 3.56 -2.640587198e+00 -2.640587198e+00 3.58 -2.585517404e+00 -2.585517404e+00 3.60 -2.530481240e+00 -2.530481240e+00 3.62 -2.475473675e+00 -2.475473675e+00 3.64 -2.420497923e+00 -2.420497923e+00 3.66 -2.365565949e+00 -2.365565949e+00 3.68 -2.310698786e+00 -2.310698786e+00 3.70 -2.255926831e+00 -2.255926831e+00 3.72 -2.201290220e+00 -2.201290220e+00 3.74 -2.146839366e+00 -2.146839366e+00 3.76 -2.092635626e+00 -2.092635626e+00 3.78 -2.038751932e+00 -2.038751932e+00 3.80 -1.985273122e+00 -1.985273122e+00 3.82 -1.932295540e+00 -1.932295540e+00 3.84 -1.879925501e+00 -1.879925501e+00 3.86 -1.828276255e+00 -1.828276255e+00 3.88 -1.777463404e+00 -1.777463404e+00 3.90 -1.727599030e+00 -1.727599030e+00 3.92 -1.678783442e+00 -1.678783442e+00 3.94 -1.631106581e+00 -1.631106581e+00 3.96 -1.584631341e+00 -1.584631341e+00 3.98 -1.539399103e+00 -1.539399103e+00 4.00 -1.495426985e+00 -1.495426985e+00 4.02 -1.452709413e+00 -1.452709413e+00 4.04 -1.411221264e+00 -1.411221264e+00 4.06 -1.370921899e+00 -1.370921899e+00 4.08 -1.331759420e+00 -1.331759420e+00 4.10 -1.293669744e+00 -1.293669744e+00 4.12 -1.256600498e+00 -1.256600498e+00 4.14 -1.220481355e+00 -1.220481355e+00 4.16 -1.185248784e+00 -1.185248784e+00 4.18 -1.150841422e+00 -1.150841422e+00 4.20 -1.117201089e+00 -1.117201089e+00 4.22 -1.084273539e+00 -1.084273539e+00 4.24 -1.052009110e+00 -1.052009110e+00 4.26 -1.020363367e+00 -1.020363367e+00 4.28 -9.892978298e-01 -9.892978298e-01 4.30 -9.587808030e-01 -9.587808030e-01 4.32 -9.287882990e-01 -9.287882990e-01 4.34 -8.993049908e-01 -8.993049908e-01 4.36 -8.703250818e-01 -8.703250818e-01 4.38 -8.418529445e-01 -8.418529445e-01 4.40 -8.139033543e-01 -8.139033543e-01 4.42 -7.865011501e-01 -7.865011501e-01 4.44 -7.596801880e-01 -7.596801880e-01 4.46 -7.334815312e-01 -7.334815312e-01 4.48 -7.079509234e-01 -7.079509234e-01 4.50 -6.831357135e-01 -6.831357135e-01 4.52 -6.590815037e-01 -6.590815037e-01 4.54 -6.358288665e-01 -6.358288665e-01 4.56 -6.134104784e-01 -6.134104784e-01 4.58 -5.918489682e-01 -5.918489682e-01 4.60 -5.711556637e-01 -5.711556637e-01 4.62 -5.513302899e-01 -5.513302899e-01 4.64 -5.323615389e-01 -5.323615389e-01 4.66 -5.142283327e-01 -5.142283327e-01 4.68 -4.969015460e-01 -4.969015460e-01 4.70 -4.803459491e-01 -4.803459491e-01 4.72 -4.645221585e-01 -4.645221585e-01 4.74 -4.493884348e-01 -4.493884348e-01 4.76 -4.349022253e-01 -4.349022253e-01 4.78 -4.210214021e-01 -4.210214021e-01 4.80 -4.077013006e-01 -4.077013006e-01 4.82 -3.949115743e-01 -3.949115743e-01 4.84 -3.826111818e-01 -3.826111818e-01 4.86 -3.707663456e-01 -3.707663456e-01 4.88 -3.593459238e-01 -3.593459238e-01 4.90 -3.483213517e-01 -3.483213517e-01 4.92 -3.376665133e-01 -3.376665133e-01 4.94 -3.273575712e-01 -3.273575712e-01 4.96 -3.173727775e-01 -3.173727775e-01 4.98 -3.076922827e-01 -3.076922827e-01 5.00 -2.982979526e-01 -2.982979526e-01 5.02 -2.891732025e-01 -2.891732025e-01 5.04 -2.803028513e-01 -2.803028513e-01 5.06 -2.716729981e-01 -2.716729981e-01 5.08 -2.632709213e-01 -2.632709213e-01 5.10 -2.550849991e-01 -2.550849991e-01 5.12 -2.471046482e-01 -2.471046482e-01 5.14 -2.393202786e-01 -2.393202786e-01 5.16 -2.317232609e-01 -2.317232609e-01 5.18 -2.243059026e-01 -2.243059026e-01 5.20 -2.170614296e-01 -2.170614296e-01 5.22 -2.099839725e-01 -2.099839725e-01 5.24 -2.030685537e-01 -2.030685537e-01 5.26 -1.963110687e-01 -1.963110687e-01 5.28 -1.897081939e-01 -1.897081939e-01 5.30 -1.832575750e-01 -1.832575750e-01 5.32 -1.769577424e-01 -1.769577424e-01 5.34 -1.708080557e-01 -1.708080557e-01 5.36 -1.648086804e-01 -1.648086804e-01 5.38 -1.589605486e-01 -1.589605486e-01 5.40 -1.532652941e-01 -1.532652941e-01 5.42 -1.477251509e-01 -1.477251509e-01 5.44 -1.423428059e-01 -1.423428059e-01 5.46 -1.371212054e-01 -1.371212054e-01 5.48 -1.320633142e-01 -1.320633142e-01 5.50 -1.271718412e-01 -1.271718412e-01 5.52 -1.224489521e-01 -1.224489521e-01 5.54 -1.178959911e-01 -1.178959911e-01 5.56 -1.135132404e-01 -1.135132404e-01 5.58 -1.092997375e-01 -1.092997375e-01 5.60 -1.052528460e-01 -1.052528460e-01 5.62 -1.013687108e-01 -1.013687108e-01 5.64 -9.764265252e-02 -9.764265252e-02 5.66 -9.406870095e-02 -9.406870095e-02 5.68 -9.063979952e-02 -9.063979952e-02 5.70 -8.734804524e-02 -8.734804524e-02 5.72 -8.418493989e-02 -8.418493989e-02 5.74 -8.114163410e-02 -8.114163410e-02 5.76 -7.820915089e-02 -7.820915089e-02 5.78 -7.537858028e-02 -7.537858028e-02 5.80 -7.264124118e-02 -7.264124118e-02 5.82 -6.998881044e-02 -6.998881044e-02 5.84 -6.741342148e-02 -6.741342148e-02 5.86 -6.490773641e-02 -6.490773641e-02 5.88 -6.246499616e-02 -6.246499616e-02 5.90 -6.007905312e-02 -6.007905312e-02 5.92 -5.774439024e-02 -5.774439024e-02 5.94 -5.545613008e-02 -5.545613008e-02 5.96 -5.321003627e-02 -5.321003627e-02 5.98 -5.100250955e-02 -5.100250955e-02 6.00 -4.883057975e-02 -4.883057975e-02