# 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 = CoNiTi2 # 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 1.814451338e+02 1.814451338e+02 1.30 1.670919295e+02 1.670919295e+02 1.32 1.538582962e+02 1.538582962e+02 1.34 1.416484912e+02 1.416484912e+02 1.36 1.303763444e+02 1.303763444e+02 1.38 1.199655598e+02 1.199655598e+02 1.40 1.103480750e+02 1.103480750e+02 1.42 1.014620580e+02 1.014620580e+02 1.44 9.325071066e+01 9.325071066e+01 1.46 8.566182438e+01 8.566182438e+01 1.48 7.864743964e+01 7.864743964e+01 1.50 7.216333577e+01 7.216333577e+01 1.52 6.616852873e+01 6.616852873e+01 1.54 6.062502297e+01 6.062502297e+01 1.56 5.549781480e+01 5.549781480e+01 1.58 5.075486948e+01 5.075486948e+01 1.60 4.636691289e+01 4.636691289e+01 1.62 4.230716756e+01 4.230716756e+01 1.64 3.855111175e+01 3.855111175e+01 1.66 3.507615972e+01 3.507615972e+01 1.68 3.186127616e+01 3.186127616e+01 1.70 2.888672102e+01 2.888672102e+01 1.72 2.613403319e+01 2.613403319e+01 1.74 2.358625039e+01 2.358625039e+01 1.76 2.122815568e+01 2.122815568e+01 1.78 1.904614709e+01 1.904614709e+01 1.80 1.702774501e+01 1.702774501e+01 1.82 1.516134970e+01 1.516134970e+01 1.84 1.343652152e+01 1.343652152e+01 1.86 1.184377994e+01 1.184377994e+01 1.88 1.037433534e+01 1.037433534e+01 1.90 9.019831538e+00 9.019831538e+00 1.92 7.772175427e+00 7.772175427e+00 1.94 6.623500837e+00 6.623500837e+00 1.96 5.566260845e+00 5.566260845e+00 1.98 4.593381213e+00 4.593381213e+00 2.00 3.698374940e+00 3.698374940e+00 2.02 2.875358031e+00 2.875358031e+00 2.04 2.118983913e+00 2.118983913e+00 2.06 1.424359120e+00 1.424359120e+00 2.08 7.869902196e-01 7.869902196e-01 2.10 2.027671206e-01 2.027671206e-01 2.12 -3.320465947e-01 -3.320465947e-01 2.14 -8.208439156e-01 -8.208439156e-01 2.16 -1.266728180e+00 -1.266728180e+00 2.18 -1.672577692e+00 -1.672577692e+00 2.20 -2.041107727e+00 -2.041107727e+00 2.22 -2.374923170e+00 -2.374923170e+00 2.24 -2.676555013e+00 -2.676555013e+00 2.26 -2.948474597e+00 -2.948474597e+00 2.28 -3.193084298e+00 -3.193084298e+00 2.30 -3.412690117e+00 -3.412690117e+00 2.32 -3.609468213e+00 -3.609468213e+00 2.34 -3.785430714e+00 -3.785430714e+00 2.36 -3.942398152e+00 -3.942398152e+00 2.38 -4.081983093e+00 -4.081983093e+00 2.40 -4.205591996e+00 -4.205591996e+00 2.42 -4.314446937e+00 -4.314446937e+00 2.44 -4.409621255e+00 -4.409621255e+00 2.46 -4.492079619e+00 -4.492079619e+00 2.48 -4.562712590e+00 -4.562712590e+00 2.50 -4.622360306e+00 -4.622360306e+00 2.52 -4.671824541e+00 -4.671824541e+00 2.54 -4.711871972e+00 -4.711871972e+00 2.56 -4.743261336e+00 -4.743261336e+00 2.58 -4.766777549e+00 -4.766777549e+00 2.60 -4.782955412e+00 -4.782955412e+00 2.62 -4.792289811e+00 -4.792289811e+00 2.64 -4.795273360e+00 -4.795273360e+00 2.66 -4.792389517e+00 -4.792389517e+00 2.68 -4.784036081e+00 -4.784036081e+00 2.70 -4.770599630e+00 -4.770599630e+00 2.72 -4.752424351e+00 -4.752424351e+00 2.74 -4.729666413e+00 -4.729666413e+00 2.76 -4.702470247e+00 -4.702470247e+00 2.78 -4.671026102e+00 -4.671026102e+00 2.80 -4.635534785e+00 -4.635534785e+00 2.82 -4.596099564e+00 -4.596099564e+00 2.84 -4.552778700e+00 -4.552778700e+00 2.86 -4.505667643e+00 -4.505667643e+00 2.88 -4.454901635e+00 -4.454901635e+00 2.90 -4.400651101e+00 -4.400651101e+00 2.92 -4.343117980e+00 -4.343117980e+00 2.94 -4.282532540e+00 -4.282532540e+00 2.96 -4.219150979e+00 -4.219150979e+00 2.98 -4.153254063e+00 -4.153254063e+00 3.00 -4.085145981e+00 -4.085145981e+00 3.02 -4.015151273e+00 -4.015151273e+00 3.04 -3.943607335e+00 -3.943607335e+00 3.06 -3.870852019e+00 -3.870852019e+00 3.08 -3.797206808e+00 -3.797206808e+00 3.10 -3.722961298e+00 -3.722961298e+00 3.12 -3.648361914e+00 -3.648361914e+00 3.14 -3.573608391e+00 -3.573608391e+00 3.16 -3.498856623e+00 -3.498856623e+00 3.18 -3.424227022e+00 -3.424227022e+00 3.20 -3.349814156e+00 -3.349814156e+00 3.22 -3.275695693e+00 -3.275695693e+00 3.24 -3.201939194e+00 -3.201939194e+00 3.26 -3.128606459e+00 -3.128606459e+00 3.28 -3.055755747e+00 -3.055755747e+00 3.30 -2.983442476e+00 -2.983442476e+00 3.32 -2.911719048e+00 -2.911719048e+00 3.34 -2.840634317e+00 -2.840634317e+00 3.36 -2.770233142e+00 -2.770233142e+00 3.38 -2.700556329e+00 -2.700556329e+00 3.40 -2.631641125e+00 -2.631641125e+00 3.42 -2.563522565e+00 -2.563522565e+00 3.44 -2.496235169e+00 -2.496235169e+00 3.46 -2.429815434e+00 -2.429815434e+00 3.48 -2.364304226e+00 -2.364304226e+00 3.50 -2.299748710e+00 -2.299748710e+00 3.52 -2.236203088e+00 -2.236203088e+00 3.54 -2.173727565e+00 -2.173727565e+00 3.56 -2.112385298e+00 -2.112385298e+00 3.58 -2.052237619e+00 -2.052237619e+00 3.60 -1.993338398e+00 -1.993338398e+00 3.62 -1.935728811e+00 -1.935728811e+00 3.64 -1.879433687e+00 -1.879433687e+00 3.66 -1.824460223e+00 -1.824460223e+00 3.68 -1.770799167e+00 -1.770799167e+00 3.70 -1.718427995e+00 -1.718427995e+00 3.72 -1.667315261e+00 -1.667315261e+00 3.74 -1.617425253e+00 -1.617425253e+00 3.76 -1.568722263e+00 -1.568722263e+00 3.78 -1.521174015e+00 -1.521174015e+00 3.80 -1.474754018e+00 -1.474754018e+00 3.82 -1.429442798e+00 -1.429442798e+00 3.84 -1.385228053e+00 -1.385228053e+00 3.86 -1.342103827e+00 -1.342103827e+00 3.88 -1.300068930e+00 -1.300068930e+00 3.90 -1.259124797e+00 -1.259124797e+00 3.92 -1.219273084e+00 -1.219273084e+00 3.94 -1.180513580e+00 -1.180513580e+00 3.96 -1.142841965e+00 -1.142841965e+00 3.98 -1.106248693e+00 -1.106248693e+00 4.00 -1.070718257e+00 -1.070718257e+00 4.02 -1.036229174e+00 -1.036229174e+00 4.04 -1.002754505e+00 -1.002754505e+00 4.06 -9.702627643e-01 -9.702627643e-01 4.08 -9.387190342e-01 -9.387190342e-01 4.10 -9.080860314e-01 -9.080860314e-01 4.12 -8.783257487e-01 -8.783257487e-01 4.14 -8.493997373e-01 -8.493997373e-01 4.16 -8.212705899e-01 -8.212705899e-01 4.18 -7.939026065e-01 -7.939026065e-01 4.20 -7.672624761e-01 -7.672624761e-01 4.22 -7.413198254e-01 -7.413198254e-01 4.24 -7.160476248e-01 -7.160476248e-01 4.26 -6.914224432e-01 -6.914224432e-01 4.28 -6.674245513e-01 -6.674245513e-01 4.30 -6.440378894e-01 -6.440378894e-01 4.32 -6.212499326e-01 -6.212499326e-01 4.34 -5.990515021e-01 -5.990515021e-01 4.36 -5.774365614e-01 -5.774365614e-01 4.38 -5.564020192e-01 -5.564020192e-01 4.40 -5.359475212e-01 -5.359475212e-01 4.42 -5.160751758e-01 -5.160751758e-01 4.44 -4.967891418e-01 -4.967891418e-01 4.46 -4.780950078e-01 -4.780950078e-01 4.48 -4.599989337e-01 -4.599989337e-01 4.50 -4.425065784e-01 -4.425065784e-01 4.52 -4.256219022e-01 -4.256219022e-01 4.54 -4.093459746e-01 -4.093459746e-01 4.56 -3.936759374e-01 -3.936759374e-01 4.58 -3.786042542e-01 -3.786042542e-01 4.60 -3.641183371e-01 -3.641183371e-01 4.62 -3.502005760e-01 -3.502005760e-01 4.64 -3.368287466e-01 -3.368287466e-01 4.66 -3.239767218e-01 -3.239767218e-01 4.68 -3.116153939e-01 -3.116153939e-01 4.70 -2.997137093e-01 -2.997137093e-01 4.72 -2.882397310e-01 -2.882397310e-01 4.74 -2.771616680e-01 -2.771616680e-01 4.76 -2.664488309e-01 -2.664488309e-01 4.78 -2.560724951e-01 -2.560724951e-01 4.80 -2.460065785e-01 -2.460065785e-01 4.82 -2.362286420e-01 -2.362286420e-01 4.84 -2.267198911e-01 -2.267198911e-01 4.86 -2.174659658e-01 -2.174659658e-01 4.88 -2.084571022e-01 -2.084571022e-01 4.90 -1.996882082e-01 -1.996882082e-01 4.92 -1.911587245e-01 -1.911587245e-01 4.94 -1.828722449e-01 -1.828722449e-01 4.96 -1.748358885e-01 -1.748358885e-01 4.98 -1.670594405e-01 -1.670594405e-01 5.00 -1.595543049e-01 -1.595543049e-01 5.02 -1.523323429e-01 -1.523323429e-01 5.04 -1.454046906e-01 -1.454046906e-01 5.06 -1.387806526e-01 -1.387806526e-01 5.08 -1.324667744e-01 -1.324667744e-01 5.10 -1.264661649e-01 -1.264661649e-01 5.12 -1.207781131e-01 -1.207781131e-01 5.14 -1.153979432e-01 -1.153979432e-01 5.16 -1.103168934e-01 -1.103168934e-01 5.18 -1.055236273e-01 -1.055236273e-01 5.20 -1.010041173e-01 -1.010041173e-01 5.22 -9.674215534e-02 -9.674215534e-02 5.24 -9.272006513e-02 -9.272006513e-02 5.26 -8.891936262e-02 -8.891936262e-02 5.28 -8.532132678e-02 -8.532132678e-02 5.30 -8.190746248e-02 -8.190746248e-02 5.32 -7.865985160e-02 -7.865985160e-02 5.34 -7.556139951e-02 -7.556139951e-02 5.36 -7.259599155e-02 -7.259599155e-02 5.38 -6.974857713e-02 -6.974857713e-02 5.40 -6.700520041e-02 -6.700520041e-02 5.42 -6.435299505e-02 -6.435299505e-02 5.44 -6.178015887e-02 -6.178015887e-02 5.46 -5.927592157e-02 -5.927592157e-02 5.48 -5.683051606e-02 -5.683051606e-02 5.50 -5.443516156e-02 -5.443516156e-02 5.52 -5.208206388e-02 -5.208206388e-02 5.54 -4.976443630e-02 -4.976443630e-02 5.56 -4.747654171e-02 -4.747654171e-02 5.58 -4.521375449e-02 -4.521375449e-02 5.60 -4.297263763e-02 -4.297263763e-02 5.62 -4.075102816e-02 -4.075102816e-02 5.64 -3.854812080e-02 -3.854812080e-02 5.66 -3.636453757e-02 -3.636453757e-02 5.68 -3.420236889e-02 -3.420236889e-02 5.70 -3.206517125e-02 -3.206517125e-02 5.72 -2.995790741e-02 -2.995790741e-02 5.74 -2.788681806e-02 -2.788681806e-02 5.76 -2.585921919e-02 -2.585921919e-02 5.78 -2.388322689e-02 -2.388322689e-02 5.80 -2.196741807e-02 -2.196741807e-02 5.82 -2.012044733e-02 -2.012044733e-02 5.84 -1.835064475e-02 -1.835064475e-02 5.86 -1.666562373e-02 -1.666562373e-02 5.88 -1.507192970e-02 -1.507192970e-02 5.90 -1.357475638e-02 -1.357475638e-02 5.92 -1.217766725e-02 -1.217766725e-02 5.94 -1.088246806e-02 -1.088246806e-02 5.96 -9.689646321e-03 -9.689646321e-03 5.98 -8.598103407e-03 -8.598103407e-03 6.00 -7.605293430e-03 -7.605293430e-03