# 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 = CoTi2Zr # 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 2.591674118e+02 2.591674118e+02 1.30 2.399130245e+02 2.399130245e+02 1.32 2.221026930e+02 2.221026930e+02 1.34 2.056184706e+02 2.056184706e+02 1.36 1.903526733e+02 1.903526733e+02 1.38 1.762082212e+02 1.762082212e+02 1.40 1.630977502e+02 1.630977502e+02 1.42 1.509418546e+02 1.509418546e+02 1.44 1.396676368e+02 1.396676368e+02 1.46 1.292081265e+02 1.292081265e+02 1.48 1.195020308e+02 1.195020308e+02 1.50 1.104931520e+02 1.104931520e+02 1.52 1.021295323e+02 1.021295323e+02 1.54 9.436280812e+01 9.436280812e+01 1.56 8.714814911e+01 8.714814911e+01 1.58 8.044450519e+01 8.044450519e+01 1.60 7.421456887e+01 7.421456887e+01 1.62 6.842430948e+01 6.842430948e+01 1.64 6.304235933e+01 6.304235933e+01 1.66 5.803947596e+01 5.803947596e+01 1.68 5.338820842e+01 5.338820842e+01 1.70 4.906288644e+01 4.906288644e+01 1.72 4.503975690e+01 4.503975690e+01 1.74 4.129709488e+01 4.129709488e+01 1.76 3.781510743e+01 3.781510743e+01 1.78 3.457568988e+01 3.457568988e+01 1.80 3.156214373e+01 3.156214373e+01 1.82 2.875898251e+01 2.875898251e+01 1.84 2.615175359e+01 2.615175359e+01 1.86 2.372697811e+01 2.372697811e+01 1.88 2.147250256e+01 2.147250256e+01 1.90 1.937696233e+01 1.937696233e+01 1.92 1.742987514e+01 1.742987514e+01 1.94 1.562163028e+01 1.562163028e+01 1.96 1.394271685e+01 1.394271685e+01 1.98 1.238418999e+01 1.238418999e+01 2.00 1.093776047e+01 1.093776047e+01 2.02 9.595768118e+00 9.595768118e+00 2.04 8.351109885e+00 8.351109885e+00 2.06 7.197157948e+00 7.197157948e+00 2.08 6.127702856e+00 6.127702856e+00 2.10 5.136940817e+00 5.136940817e+00 2.12 4.219482498e+00 4.219482498e+00 2.14 3.370353288e+00 3.370353288e+00 2.16 2.584984118e+00 2.584984118e+00 2.18 1.859171912e+00 1.859171912e+00 2.20 1.189027078e+00 1.189027078e+00 2.22 5.708997498e-01 5.708997498e-01 2.24 1.323877038e-03 1.323877038e-03 2.26 -5.230080830e-01 -5.230080830e-01 2.28 -1.005247091e+00 -1.005247091e+00 2.30 -1.448347261e+00 -1.448347261e+00 2.32 -1.855062091e+00 -1.855062091e+00 2.34 -2.227913446e+00 -2.227913446e+00 2.36 -2.569210731e+00 -2.569210731e+00 2.38 -2.881068334e+00 -2.881068334e+00 2.40 -3.165437591e+00 -3.165437591e+00 2.42 -3.424147140e+00 -3.424147140e+00 2.44 -3.658932143e+00 -3.658932143e+00 2.46 -3.871460138e+00 -3.871460138e+00 2.48 -4.063337749e+00 -4.063337749e+00 2.50 -4.236105007e+00 -4.236105007e+00 2.52 -4.391221567e+00 -4.391221567e+00 2.54 -4.530051209e+00 -4.530051209e+00 2.56 -4.653849942e+00 -4.653849942e+00 2.58 -4.763760802e+00 -4.763760802e+00 2.60 -4.860815824e+00 -4.860815824e+00 2.62 -4.945941754e+00 -4.945941754e+00 2.64 -5.019978995e+00 -5.019978995e+00 2.66 -5.083736083e+00 -5.083736083e+00 2.68 -5.137887170e+00 -5.137887170e+00 2.70 -5.183010465e+00 -5.183010465e+00 2.72 -5.219659444e+00 -5.219659444e+00 2.74 -5.248368219e+00 -5.248368219e+00 2.76 -5.269653113e+00 -5.269653113e+00 2.78 -5.284009735e+00 -5.284009735e+00 2.80 -5.291916341e+00 -5.291916341e+00 2.82 -5.293794547e+00 -5.293794547e+00 2.84 -5.290010807e+00 -5.290010807e+00 2.86 -5.280858089e+00 -5.280858089e+00 2.88 -5.266510179e+00 -5.266510179e+00 2.90 -5.247153937e+00 -5.247153937e+00 2.92 -5.223008479e+00 -5.223008479e+00 2.94 -5.194321426e+00 -5.194321426e+00 2.96 -5.161366839e+00 -5.161366839e+00 2.98 -5.124444464e+00 -5.124444464e+00 3.00 -5.083878232e+00 -5.083878232e+00 3.02 -5.039946923e+00 -5.039946923e+00 3.04 -4.992797422e+00 -4.992797422e+00 3.06 -4.942585287e+00 -4.942585287e+00 3.08 -4.889490326e+00 -4.889490326e+00 3.10 -4.833704508e+00 -4.833704508e+00 3.12 -4.775411365e+00 -4.775411365e+00 3.14 -4.714785358e+00 -4.714785358e+00 3.16 -4.651977747e+00 -4.651977747e+00 3.18 -4.587129695e+00 -4.587129695e+00 3.20 -4.520376376e+00 -4.520376376e+00 3.22 -4.451854015e+00 -4.451854015e+00 3.24 -4.381706078e+00 -4.381706078e+00 3.26 -4.310087818e+00 -4.310087818e+00 3.28 -4.237168494e+00 -4.237168494e+00 3.30 -4.163130707e+00 -4.163130707e+00 3.32 -4.088166553e+00 -4.088166553e+00 3.34 -4.012471080e+00 -4.012471080e+00 3.36 -3.936234382e+00 -3.936234382e+00 3.38 -3.859634194e+00 -3.859634194e+00 3.40 -3.782829849e+00 -3.782829849e+00 3.42 -3.705964334e+00 -3.705964334e+00 3.44 -3.629159625e+00 -3.629159625e+00 3.46 -3.552525019e+00 -3.552525019e+00 3.48 -3.476161051e+00 -3.476161051e+00 3.50 -3.400164354e+00 -3.400164354e+00 3.52 -3.324631104e+00 -3.324631104e+00 3.54 -3.249658314e+00 -3.249658314e+00 3.56 -3.175342730e+00 -3.175342730e+00 3.58 -3.101777648e+00 -3.101777648e+00 3.60 -3.029048534e+00 -3.029048534e+00 3.62 -2.957228600e+00 -2.957228600e+00 3.64 -2.886375507e+00 -2.886375507e+00 3.66 -2.816529985e+00 -2.816529985e+00 3.68 -2.747716617e+00 -2.747716617e+00 3.70 -2.679946523e+00 -2.679946523e+00 3.72 -2.613221308e+00 -2.613221308e+00 3.74 -2.547537580e+00 -2.547537580e+00 3.76 -2.482891392e+00 -2.482891392e+00 3.78 -2.419282098e+00 -2.419282098e+00 3.80 -2.356715287e+00 -2.356715287e+00 3.82 -2.295204532e+00 -2.295204532e+00 3.84 -2.234771791e+00 -2.234771791e+00 3.86 -2.175446415e+00 -2.175446415e+00 3.88 -2.117262865e+00 -2.117262865e+00 3.90 -2.060257443e+00 -2.060257443e+00 3.92 -2.004463295e+00 -2.004463295e+00 3.94 -1.949912098e+00 -1.949912098e+00 3.96 -1.896622816e+00 -1.896622816e+00 3.98 -1.844605853e+00 -1.844605853e+00 4.00 -1.793861008e+00 -1.793861008e+00 4.02 -1.744378140e+00 -1.744378140e+00 4.04 -1.696138679e+00 -1.696138679e+00 4.06 -1.649117587e+00 -1.649117587e+00 4.08 -1.603285431e+00 -1.603285431e+00 4.10 -1.558605820e+00 -1.558605820e+00 4.12 -1.515055917e+00 -1.515055917e+00 4.14 -1.472598030e+00 -1.472598030e+00 4.16 -1.431201569e+00 -1.431201569e+00 4.18 -1.390838212e+00 -1.390838212e+00 4.20 -1.351482380e+00 -1.351482380e+00 4.22 -1.313111477e+00 -1.313111477e+00 4.24 -1.275705885e+00 -1.275705885e+00 4.26 -1.239248714e+00 -1.239248714e+00 4.28 -1.203725316e+00 -1.203725316e+00 4.30 -1.169122586e+00 -1.169122586e+00 4.32 -1.135428130e+00 -1.135428130e+00 4.34 -1.102629399e+00 -1.102629399e+00 4.36 -1.070712892e+00 -1.070712892e+00 4.38 -1.039663551e+00 -1.039663551e+00 4.40 -1.009464402e+00 -1.009464402e+00 4.42 -9.800964653e-01 -9.800964653e-01 4.44 -9.515388999e-01 -9.515388999e-01 4.46 -9.237693226e-01 -9.237693226e-01 4.48 -8.967642116e-01 -8.967642116e-01 4.50 -8.704993241e-01 -8.704993241e-01 4.52 -8.449500698e-01 -8.449500698e-01 4.54 -8.200918064e-01 -8.200918064e-01 4.56 -7.959000496e-01 -7.959000496e-01 4.58 -7.723506026e-01 -7.723506026e-01 4.60 -7.494196261e-01 -7.494196261e-01 4.62 -7.270836698e-01 -7.270836698e-01 4.64 -7.053196902e-01 -7.053196902e-01 4.66 -6.841050757e-01 -6.841050757e-01 4.68 -6.634176978e-01 -6.634176978e-01 4.70 -6.432360019e-01 -6.432360019e-01 4.72 -6.235391487e-01 -6.235391487e-01 4.74 -6.043072137e-01 -6.043072137e-01 4.76 -5.855214445e-01 -5.855214445e-01 4.78 -5.671645743e-01 -5.671645743e-01 4.80 -5.492180445e-01 -5.492180445e-01 4.82 -5.316754661e-01 -5.316754661e-01 4.84 -5.145225001e-01 -5.145225001e-01 4.86 -4.977515411e-01 -4.977515411e-01 4.88 -4.813581994e-01 -4.813581994e-01 4.90 -4.653414306e-01 -4.653414306e-01 4.92 -4.497034836e-01 -4.497034836e-01 4.94 -4.344496345e-01 -4.344496345e-01 4.96 -4.195876846e-01 -4.195876846e-01 4.98 -4.051272345e-01 -4.051272345e-01 5.00 -3.910787694e-01 -3.910787694e-01 5.02 -3.774526241e-01 -3.774526241e-01 5.04 -3.642579155e-01 -3.642579155e-01 5.06 -3.515015399e-01 -3.515015399e-01 5.08 -3.391873311e-01 -3.391873311e-01 5.10 -3.273154524e-01 -3.273154524e-01 5.12 -3.158820715e-01 -3.158820715e-01 5.14 -3.048793281e-01 -3.048793281e-01 5.16 -2.942955735e-01 -2.942955735e-01 5.18 -2.841158344e-01 -2.841158344e-01 5.20 -2.743224343e-01 -2.743224343e-01 5.22 -2.648957047e-01 -2.648957047e-01 5.24 -2.558147184e-01 -2.558147184e-01 5.26 -2.470579937e-01 -2.470579937e-01 5.28 -2.386041282e-01 -2.386041282e-01 5.30 -2.304323414e-01 -2.304323414e-01 5.32 -2.225229114e-01 -2.225229114e-01 5.34 -2.148575057e-01 -2.148575057e-01 5.36 -2.074194087e-01 -2.074194087e-01 5.38 -2.001936506e-01 -2.001936506e-01 5.40 -1.931670480e-01 -1.931670480e-01 5.42 -1.863281612e-01 -1.863281612e-01 5.44 -1.796671813e-01 -1.796671813e-01 5.46 -1.731757588e-01 -1.731757588e-01 5.48 -1.668467903e-01 -1.668467903e-01 5.50 -1.606741839e-01 -1.606741839e-01 5.52 -1.546526275e-01 -1.546526275e-01 5.54 -1.487773838e-01 -1.487773838e-01 5.56 -1.430441344e-01 -1.430441344e-01 5.58 -1.374488897e-01 -1.374488897e-01 5.60 -1.319879739e-01 -1.319879739e-01 5.62 -1.266580806e-01 -1.266580806e-01 5.64 -1.214563895e-01 -1.214563895e-01 5.66 -1.163807199e-01 -1.163807199e-01 5.68 -1.114296925e-01 -1.114296925e-01 5.70 -1.066028702e-01 -1.066028702e-01 5.72 -1.019008444e-01 -1.019008444e-01 5.74 -9.732524445e-02 -9.732524445e-02 5.76 -9.287865225e-02 -9.287865225e-02 5.78 -8.856441840e-02 -8.856441840e-02 5.80 -8.438638634e-02 -8.438638634e-02 5.82 -8.034854579e-02 -8.034854579e-02 5.84 -7.645464427e-02 -7.645464427e-02 5.86 -7.270779394e-02 -7.270779394e-02 5.88 -6.911011019e-02 -6.911011019e-02 5.90 -6.566241617e-02 -6.566241617e-02 5.92 -6.236398572e-02 -6.236398572e-02 5.94 -5.921237368e-02 -5.921237368e-02 5.96 -5.620375139e-02 -5.620375139e-02 5.98 -5.333295513e-02 -5.333295513e-02 6.00 -5.059350309e-02 -5.059350309e-02