# 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 = Ni2TaTi # 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 1.953801638e+02 1.953801638e+02 1.30 1.799812623e+02 1.799812623e+02 1.32 1.657682657e+02 1.657682657e+02 1.34 1.526397591e+02 1.526397591e+02 1.36 1.405072870e+02 1.405072870e+02 1.38 1.292941201e+02 1.292941201e+02 1.40 1.189323704e+02 1.189323704e+02 1.42 1.093601395e+02 1.093601395e+02 1.44 1.005194342e+02 1.005194342e+02 1.46 9.235479237e+01 9.235479237e+01 1.48 8.481252718e+01 8.481252718e+01 1.50 7.784074534e+01 7.784074534e+01 1.52 7.139019232e+01 7.139019232e+01 1.54 6.541549476e+01 6.541549476e+01 1.56 5.987608595e+01 5.987608595e+01 1.58 5.473638897e+01 5.473638897e+01 1.60 4.996539631e+01 4.996539631e+01 1.62 4.553604264e+01 4.553604264e+01 1.64 4.142455095e+01 4.142455095e+01 1.66 3.760968944e+01 3.760968944e+01 1.68 3.407196461e+01 3.407196461e+01 1.70 3.079295695e+01 3.079295695e+01 1.72 2.775498052e+01 2.775498052e+01 1.74 2.494108288e+01 2.494108288e+01 1.76 2.233664937e+01 2.233664937e+01 1.78 1.993068091e+01 1.993068091e+01 1.80 1.770960504e+01 1.770960504e+01 1.82 1.566091588e+01 1.566091588e+01 1.84 1.377325166e+01 1.377325166e+01 1.86 1.203618888e+01 1.203618888e+01 1.88 1.043986348e+01 1.043986348e+01 1.90 8.974634047e+00 8.974634047e+00 1.92 7.630890541e+00 7.630890541e+00 1.94 6.399042580e+00 6.399042580e+00 1.96 5.269667024e+00 5.269667024e+00 1.98 4.233744519e+00 4.233744519e+00 2.00 3.282893229e+00 3.282893229e+00 2.02 2.409533595e+00 2.409533595e+00 2.04 1.606967189e+00 1.606967189e+00 2.06 8.693843880e-01 8.693843880e-01 2.08 1.918183502e-01 1.918183502e-01 2.10 -4.299451817e-01 -4.299451817e-01 2.12 -9.994940044e-01 -9.994940044e-01 2.14 -1.519936483e+00 -1.519936483e+00 2.16 -1.994048054e+00 -1.994048054e+00 2.18 -2.424399672e+00 -2.424399672e+00 2.20 -2.813459768e+00 -2.813459768e+00 2.22 -3.163669342e+00 -3.163669342e+00 2.24 -3.477491459e+00 -3.477491459e+00 2.26 -3.757437094e+00 -3.757437094e+00 2.28 -4.006070983e+00 -4.006070983e+00 2.30 -4.226001642e+00 -4.226001642e+00 2.32 -4.419857736e+00 -4.419857736e+00 2.34 -4.590245195e+00 -4.590245195e+00 2.36 -4.739682150e+00 -4.739682150e+00 2.38 -4.870517506e+00 -4.870517506e+00 2.40 -4.984781051e+00 -4.984781051e+00 2.42 -5.084225123e+00 -5.084225123e+00 2.44 -5.170554718e+00 -5.170554718e+00 2.46 -5.245136863e+00 -5.245136863e+00 2.48 -5.309051307e+00 -5.309051307e+00 2.50 -5.363162081e+00 -5.363162081e+00 2.52 -5.408176564e+00 -5.408176564e+00 2.54 -5.444533187e+00 -5.444533187e+00 2.56 -5.472469782e+00 -5.472469782e+00 2.58 -5.492278139e+00 -5.492278139e+00 2.60 -5.504297926e+00 -5.504297926e+00 2.62 -5.508901641e+00 -5.508901641e+00 2.64 -5.506517105e+00 -5.506517105e+00 2.66 -5.497580470e+00 -5.497580470e+00 2.68 -5.482474387e+00 -5.482474387e+00 2.70 -5.461612401e+00 -5.461612401e+00 2.72 -5.435434205e+00 -5.435434205e+00 2.74 -5.404392032e+00 -5.404392032e+00 2.76 -5.368936367e+00 -5.368936367e+00 2.78 -5.329501986e+00 -5.329501986e+00 2.80 -5.286475138e+00 -5.286475138e+00 2.82 -5.240112375e+00 -5.240112375e+00 2.84 -5.190616303e+00 -5.190616303e+00 2.86 -5.138173927e+00 -5.138173927e+00 2.88 -5.082960812e+00 -5.082960812e+00 2.90 -5.025058306e+00 -5.025058306e+00 2.92 -4.964420992e+00 -4.964420992e+00 2.94 -4.901039478e+00 -4.901039478e+00 2.96 -4.834948126e+00 -4.834948126e+00 2.98 -4.766216072e+00 -4.766216072e+00 3.00 -4.694939638e+00 -4.694939638e+00 3.02 -4.621235973e+00 -4.621235973e+00 3.04 -4.545237070e+00 -4.545237070e+00 3.06 -4.467083946e+00 -4.467083946e+00 3.08 -4.386920329e+00 -4.386920329e+00 3.10 -4.304888169e+00 -4.304888169e+00 3.12 -4.221125200e+00 -4.221125200e+00 3.14 -4.135765868e+00 -4.135765868e+00 3.16 -4.048944870e+00 -4.048944870e+00 3.18 -3.960803016e+00 -3.960803016e+00 3.20 -3.871493553e+00 -3.871493553e+00 3.22 -3.781187892e+00 -3.781187892e+00 3.24 -3.690079602e+00 -3.690079602e+00 3.26 -3.598385853e+00 -3.598385853e+00 3.28 -3.506345779e+00 -3.506345779e+00 3.30 -3.414215540e+00 -3.414215540e+00 3.32 -3.322260292e+00 -3.322260292e+00 3.34 -3.230743712e+00 -3.230743712e+00 3.36 -3.139916201e+00 -3.139916201e+00 3.38 -3.050003156e+00 -3.050003156e+00 3.40 -2.961194790e+00 -2.961194790e+00 3.42 -2.873638867e+00 -2.873638867e+00 3.44 -2.787436948e+00 -2.787436948e+00 3.46 -2.702644732e+00 -2.702644732e+00 3.48 -2.619275880e+00 -2.619275880e+00 3.50 -2.537308554e+00 -2.537308554e+00 3.52 -2.456693509e+00 -2.456693509e+00 3.54 -2.377362551e+00 -2.377362551e+00 3.56 -2.299236403e+00 -2.299236403e+00 3.58 -2.222231499e+00 -2.222231499e+00 3.60 -2.146265670e+00 -2.146265670e+00 3.62 -2.071263100e+00 -2.071263100e+00 3.64 -1.997159020e+00 -1.997159020e+00 3.66 -1.923904478e+00 -1.923904478e+00 3.68 -1.851471221e+00 -1.851471221e+00 3.70 -1.779856387e+00 -1.779856387e+00 3.72 -1.709086532e+00 -1.709086532e+00 3.74 -1.639220429e+00 -1.639220429e+00 3.76 -1.570350147e+00 -1.570350147e+00 3.78 -1.502600031e+00 -1.502600031e+00 3.80 -1.436123395e+00 -1.436123395e+00 3.82 -1.371096857e+00 -1.371096857e+00 3.84 -1.307712524e+00 -1.307712524e+00 3.86 -1.246168416e+00 -1.246168416e+00 3.88 -1.186657775e+00 -1.186657775e+00 3.90 -1.129358138e+00 -1.129358138e+00 3.92 -1.074421139e+00 -1.074421139e+00 3.94 -1.021964215e+00 -1.021964215e+00 3.96 -9.720645497e-01 -9.720645497e-01 3.98 -9.247563814e-01 -9.247563814e-01 4.00 -8.800312240e-01 -8.800312240e-01 4.02 -8.378408701e-01 -8.378408701e-01 4.04 -7.981024946e-01 -7.981024946e-01 4.06 -7.607050658e-01 -7.607050658e-01 4.08 -7.255162791e-01 -7.255162791e-01 4.10 -6.923892901e-01 -6.923892901e-01 4.12 -6.611691699e-01 -6.611691699e-01 4.14 -6.316977858e-01 -6.316977858e-01 4.16 -6.038184269e-01 -6.038184269e-01 4.18 -5.773791100e-01 -5.773791100e-01 4.20 -5.522351450e-01 -5.522351450e-01 4.22 -5.282510450e-01 -5.282510450e-01 4.24 -5.053019542e-01 -5.053019542e-01 4.26 -4.832747551e-01 -4.832747551e-01 4.28 -4.620689779e-01 -4.620689779e-01 4.30 -4.415975976e-01 -4.415975976e-01 4.32 -4.217877460e-01 -4.217877460e-01 4.34 -4.025813140e-01 -4.025813140e-01 4.36 -3.839353638e-01 -3.839353638e-01 4.38 -3.658222265e-01 -3.658222265e-01 4.40 -3.482291357e-01 -3.482291357e-01 4.42 -3.311572516e-01 -3.311572516e-01 4.44 -3.146199682e-01 -3.146199682e-01 4.46 -2.986404786e-01 -2.986404786e-01 4.48 -2.832486751e-01 -2.832486751e-01 4.50 -2.684775830e-01 -2.684775830e-01 4.52 -2.543596241e-01 -2.543596241e-01 4.54 -2.409230661e-01 -2.409230661e-01 4.56 -2.281890052e-01 -2.281890052e-01 4.58 -2.161691638e-01 -2.161691638e-01 4.60 -2.048646647e-01 -2.048646647e-01 4.62 -1.942658024e-01 -1.942658024e-01 4.64 -1.843527059e-01 -1.843527059e-01 4.66 -1.750966889e-01 -1.750966889e-01 4.68 -1.664620429e-01 -1.664620429e-01 4.70 -1.584080260e-01 -1.584080260e-01 4.72 -1.508908277e-01 -1.508908277e-01 4.74 -1.438651132e-01 -1.438651132e-01 4.76 -1.372862238e-01 -1.372862238e-01 4.78 -1.311111145e-01 -1.311111145e-01 4.80 -1.252990549e-01 -1.252990549e-01 4.82 -1.198125284e-01 -1.198125284e-01 4.84 -1.146174326e-01 -1.146174326e-01 4.86 -1.096835496e-01 -1.096835496e-01 4.88 -1.049846158e-01 -1.049846158e-01 4.90 -1.004983244e-01 -1.004983244e-01 4.92 -9.620622307e-02 -9.620622307e-02 4.94 -9.209351951e-02 -9.209351951e-02 4.96 -8.814879707e-02 -8.814879707e-02 4.98 -8.436364471e-02 -8.436364471e-02 5.00 -8.073219805e-02 -8.073219805e-02 5.02 -7.725060992e-02 -7.725060992e-02 5.04 -7.391647324e-02 -7.391647324e-02 5.06 -7.072822892e-02 -7.072822892e-02 5.08 -6.768459412e-02 -6.768459412e-02 5.10 -6.478391532e-02 -6.478391532e-02 5.12 -6.202410575e-02 -6.202410575e-02 5.14 -5.940226793e-02 -5.940226793e-02 5.16 -5.691444252e-02 -5.691444252e-02 5.18 -5.455560034e-02 -5.455560034e-02 5.20 -5.231973686e-02 -5.231973686e-02 5.22 -5.020003929e-02 -5.020003929e-02 5.24 -4.818909460e-02 -4.818909460e-02 5.26 -4.627910933e-02 -4.627910933e-02 5.28 -4.446211862e-02 -4.446211862e-02 5.30 -4.273016909e-02 -4.273016909e-02 5.32 -4.107546725e-02 -4.107546725e-02 5.34 -3.949049160e-02 -3.949049160e-02 5.36 -3.796807040e-02 -3.796807040e-02 5.38 -3.650143056e-02 -3.650143056e-02 5.40 -3.508422379e-02 -3.508422379e-02 5.42 -3.371053704e-02 -3.371053704e-02 5.44 -3.237489376e-02 -3.237489376e-02 5.46 -3.107225150e-02 -3.107225150e-02 5.48 -2.979800100e-02 -2.979800100e-02 5.50 -2.854797029e-02 -2.854797029e-02 5.52 -2.731843661e-02 -2.731843661e-02 5.54 -2.610614794e-02 -2.610614794e-02 5.56 -2.490835392e-02 -2.490835392e-02 5.58 -2.372284624e-02 -2.372284624e-02 5.60 -2.254800584e-02 -2.254800584e-02 5.62 -2.138285333e-02 -2.138285333e-02 5.64 -2.022709746e-02 -2.022709746e-02 5.66 -1.908117538e-02 -1.908117538e-02 5.68 -1.794627719e-02 -1.794627719e-02 5.70 -1.682434702e-02 -1.682434702e-02 5.72 -1.571805343e-02 -1.571805343e-02 5.74 -1.463072347e-02 -1.463072347e-02 5.76 -1.356623484e-02 -1.356623484e-02 5.78 -1.252873997e-02 -1.252873997e-02 5.80 -1.152273384e-02 -1.152273384e-02 5.82 -1.055283731e-02 -1.055283731e-02 5.84 -9.623484874e-03 -9.623484874e-03 5.86 -8.738718607e-03 -8.738718607e-03 5.88 -7.902004257e-03 -7.902004257e-03 5.90 -7.116083556e-03 -7.116083556e-03 5.92 -6.382873007e-03 -6.382873007e-03 5.94 -5.703414328e-03 -5.703414328e-03 5.96 -5.077876268e-03 -5.077876268e-03 5.98 -4.505602650e-03 -4.505602650e-03 6.00 -3.985197749e-03 -3.985197749e-03