# 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 = PtWZr2 # 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 4.908646934e+02 4.908646934e+02 1.30 4.579965166e+02 4.579965166e+02 1.32 4.273715727e+02 4.273715727e+02 1.34 3.988430916e+02 3.988430916e+02 1.36 3.722824941e+02 3.722824941e+02 1.38 3.475657384e+02 3.475657384e+02 1.40 3.245642187e+02 3.245642187e+02 1.42 3.031452387e+02 3.031452387e+02 1.44 2.831788150e+02 2.831788150e+02 1.46 2.645440488e+02 2.645440488e+02 1.48 2.471320645e+02 2.471320645e+02 1.50 2.308465688e+02 2.308465688e+02 1.52 2.156031314e+02 2.156031314e+02 1.54 2.013271577e+02 2.013271577e+02 1.56 1.879514811e+02 1.879514811e+02 1.58 1.754140307e+02 1.754140307e+02 1.60 1.636564745e+02 1.636564745e+02 1.62 1.526238455e+02 1.526238455e+02 1.64 1.422651724e+02 1.422651724e+02 1.66 1.325343398e+02 1.325343398e+02 1.68 1.233908521e+02 1.233908521e+02 1.70 1.147999243e+02 1.147999243e+02 1.72 1.067315974e+02 1.067315974e+02 1.74 9.915896156e+01 9.915896156e+01 1.76 9.205613061e+01 9.205613061e+01 1.78 8.539679427e+01 8.539679427e+01 1.80 7.915389787e+01 7.915389787e+01 1.82 7.330011658e+01 7.330011658e+01 1.84 6.780882245e+01 6.780882245e+01 1.86 6.265483579e+01 6.265483579e+01 1.88 5.781468289e+01 5.781468289e+01 1.90 5.326646673e+01 5.326646673e+01 1.92 4.898974683e+01 4.898974683e+01 1.94 4.496544084e+01 4.496544084e+01 1.96 4.117600716e+01 4.117600716e+01 1.98 3.760550051e+01 3.760550051e+01 2.00 3.423949984e+01 3.423949984e+01 2.02 3.106558718e+01 3.106558718e+01 2.04 2.807271219e+01 2.807271219e+01 2.06 2.525682100e+01 2.525682100e+01 2.08 2.264303457e+01 2.264303457e+01 2.10 2.022258076e+01 2.022258076e+01 2.12 1.798194160e+01 1.798194160e+01 2.14 1.590834871e+01 1.590834871e+01 2.16 1.398964400e+01 1.398964400e+01 2.18 1.221426711e+01 1.221426711e+01 2.20 1.057136396e+01 1.057136396e+01 2.22 9.050896170e+00 9.050896170e+00 2.24 7.643714311e+00 7.643714311e+00 2.26 6.341565439e+00 6.341565439e+00 2.28 5.137031981e+00 5.137031981e+00 2.30 4.023466200e+00 4.023466200e+00 2.32 2.994878337e+00 2.994878337e+00 2.34 2.045801636e+00 2.045801636e+00 2.36 1.171189417e+00 1.171189417e+00 2.38 3.663090584e-01 3.663090584e-01 2.40 -3.733341071e-01 -3.733341071e-01 2.42 -1.052051922e+00 -1.052051922e+00 2.44 -1.673988997e+00 -1.673988997e+00 2.46 -2.243130742e+00 -2.243130742e+00 2.48 -2.763290249e+00 -2.763290249e+00 2.50 -3.238093343e+00 -3.238093343e+00 2.52 -3.670966099e+00 -3.670966099e+00 2.54 -4.065123546e+00 -4.065123546e+00 2.56 -4.423554460e+00 -4.423554460e+00 2.58 -4.749001677e+00 -4.749001677e+00 2.60 -5.043945550e+00 -5.043945550e+00 2.62 -5.310599253e+00 -5.310599253e+00 2.64 -5.550934025e+00 -5.550934025e+00 2.66 -5.766698801e+00 -5.766698801e+00 2.68 -5.959470470e+00 -5.959470470e+00 2.70 -6.130690143e+00 -6.130690143e+00 2.72 -6.281693732e+00 -6.281693732e+00 2.74 -6.413731708e+00 -6.413731708e+00 2.76 -6.527978798e+00 -6.527978798e+00 2.78 -6.625534143e+00 -6.625534143e+00 2.80 -6.707386402e+00 -6.707386402e+00 2.82 -6.774480636e+00 -6.774480636e+00 2.84 -6.827749860e+00 -6.827749860e+00 2.86 -6.868081545e+00 -6.868081545e+00 2.88 -6.896527046e+00 -6.896527046e+00 2.90 -6.915135124e+00 -6.915135124e+00 2.92 -6.924599269e+00 -6.924599269e+00 2.94 -6.925228963e+00 -6.925228963e+00 2.96 -6.917397812e+00 -6.917397812e+00 2.98 -6.901542724e+00 -6.901542724e+00 3.00 -6.878112610e+00 -6.878112610e+00 3.02 -6.847487380e+00 -6.847487380e+00 3.04 -6.810052527e+00 -6.810052527e+00 3.06 -6.766047000e+00 -6.766047000e+00 3.08 -6.715629513e+00 -6.715629513e+00 3.10 -6.658990574e+00 -6.658990574e+00 3.12 -6.596329967e+00 -6.596329967e+00 3.14 -6.527868025e+00 -6.527868025e+00 3.16 -6.453813770e+00 -6.453813770e+00 3.18 -6.374388579e+00 -6.374388579e+00 3.20 -6.289824791e+00 -6.289824791e+00 3.22 -6.200371446e+00 -6.200371446e+00 3.24 -6.106300726e+00 -6.106300726e+00 3.26 -6.007914215e+00 -6.007914215e+00 3.28 -5.905547481e+00 -5.905547481e+00 3.30 -5.799571095e+00 -5.799571095e+00 3.32 -5.690386793e+00 -5.690386793e+00 3.34 -5.578418962e+00 -5.578418962e+00 3.36 -5.464103442e+00 -5.464103442e+00 3.38 -5.347876695e+00 -5.347876695e+00 3.40 -5.230166643e+00 -5.230166643e+00 3.42 -5.111395181e+00 -5.111395181e+00 3.44 -4.991968473e+00 -4.991968473e+00 3.46 -4.872284860e+00 -4.872284860e+00 3.48 -4.752733171e+00 -4.752733171e+00 3.50 -4.633690303e+00 -4.633690303e+00 3.52 -4.515515897e+00 -4.515515897e+00 3.54 -4.398544820e+00 -4.398544820e+00 3.56 -4.283078749e+00 -4.283078749e+00 3.58 -4.169378347e+00 -4.169378347e+00 3.60 -4.057657248e+00 -4.057657248e+00 3.62 -3.948078665e+00 -3.948078665e+00 3.64 -3.840754944e+00 -3.840754944e+00 3.66 -3.735749965e+00 -3.735749965e+00 3.68 -3.633084010e+00 -3.633084010e+00 3.70 -3.532740558e+00 -3.532740558e+00 3.72 -3.434674403e+00 -3.434674403e+00 3.74 -3.338820700e+00 -3.338820700e+00 3.76 -3.245118327e+00 -3.245118327e+00 3.78 -3.153525213e+00 -3.153525213e+00 3.80 -3.064000173e+00 -3.064000173e+00 3.82 -2.976506800e+00 -2.976506800e+00 3.84 -2.891017594e+00 -2.891017594e+00 3.86 -2.807515316e+00 -2.807515316e+00 3.88 -2.725991560e+00 -2.725991560e+00 3.90 -2.646442981e+00 -2.646442981e+00 3.92 -2.568862759e+00 -2.568862759e+00 3.94 -2.493249292e+00 -2.493249292e+00 3.96 -2.419579546e+00 -2.419579546e+00 3.98 -2.347822299e+00 -2.347822299e+00 4.00 -2.277933813e+00 -2.277933813e+00 4.02 -2.209859867e+00 -2.209859867e+00 4.04 -2.143539428e+00 -2.143539428e+00 4.06 -2.078909205e+00 -2.078909205e+00 4.08 -2.015908351e+00 -2.015908351e+00 4.10 -1.954473815e+00 -1.954473815e+00 4.12 -1.894580772e+00 -1.894580772e+00 4.14 -1.836185939e+00 -1.836185939e+00 4.16 -1.779269601e+00 -1.779269601e+00 4.18 -1.723823807e+00 -1.723823807e+00 4.20 -1.669850308e+00 -1.669850308e+00 4.22 -1.617357465e+00 -1.617357465e+00 4.24 -1.566356518e+00 -1.566356518e+00 4.26 -1.516857648e+00 -1.516857648e+00 4.28 -1.468866317e+00 -1.468866317e+00 4.30 -1.422380279e+00 -1.422380279e+00 4.32 -1.377387534e+00 -1.377387534e+00 4.34 -1.333865339e+00 -1.333865339e+00 4.36 -1.291780224e+00 -1.291780224e+00 4.38 -1.251088840e+00 -1.251088840e+00 4.40 -1.211739388e+00 -1.211739388e+00 4.42 -1.173673371e+00 -1.173673371e+00 4.44 -1.136827445e+00 -1.136827445e+00 4.46 -1.101135187e+00 -1.101135187e+00 4.48 -1.066528672e+00 -1.066528672e+00 4.50 -1.032939823e+00 -1.032939823e+00 4.52 -1.000301531e+00 -1.000301531e+00 4.54 -9.685485731e-01 -9.685485731e-01 4.56 -9.376183947e-01 -9.376183947e-01 4.58 -9.074518098e-01 -9.074518098e-01 4.60 -8.779936716e-01 -8.779936716e-01 4.62 -8.491935609e-01 -8.491935609e-01 4.64 -8.210065168e-01 -8.210065168e-01 4.66 -7.933938135e-01 -7.933938135e-01 4.68 -7.663237620e-01 -7.663237620e-01 4.70 -7.397724889e-01 -7.397724889e-01 4.72 -7.137246201e-01 -7.137246201e-01 4.74 -6.881737757e-01 -6.881737757e-01 4.76 -6.631227717e-01 -6.631227717e-01 4.78 -6.385834261e-01 -6.385834261e-01 4.80 -6.145698088e-01 -6.145698088e-01 4.82 -5.911223967e-01 -5.911223967e-01 4.84 -5.682666443e-01 -5.682666443e-01 4.86 -5.460386320e-01 -5.460386320e-01 4.88 -5.244753260e-01 -5.244753260e-01 4.90 -5.036120523e-01 -5.036120523e-01 4.92 -4.834800788e-01 -4.834800788e-01 4.94 -4.641045116e-01 -4.641045116e-01 4.96 -4.455026745e-01 -4.455026745e-01 4.98 -4.276830810e-01 -4.276830810e-01 5.00 -4.106450337e-01 -4.106450337e-01 5.02 -3.943788183e-01 -3.943788183e-01 5.04 -3.788664017e-01 -3.788664017e-01 5.06 -3.640825069e-01 -3.640825069e-01 5.08 -3.499959264e-01 -3.499959264e-01 5.10 -3.365709407e-01 -3.365709407e-01 5.12 -3.237687301e-01 -3.237687301e-01 5.14 -3.115486975e-01 -3.115486975e-01 5.16 -2.998696485e-01 -2.998696485e-01 5.18 -2.886908044e-01 -2.886908044e-01 5.20 -2.779726448e-01 -2.779726448e-01 5.22 -2.676775918e-01 -2.676775918e-01 5.24 -2.577705555e-01 -2.577705555e-01 5.26 -2.482193661e-01 -2.482193661e-01 5.28 -2.389951114e-01 -2.389951114e-01 5.30 -2.300723977e-01 -2.300723977e-01 5.32 -2.214295400e-01 -2.214295400e-01 5.34 -2.130486831e-01 -2.130486831e-01 5.36 -2.049158422e-01 -2.049158422e-01 5.38 -1.970208506e-01 -1.970208506e-01 5.40 -1.893571954e-01 -1.893571954e-01 5.42 -1.819217255e-01 -1.819217255e-01 5.44 -1.747142238e-01 -1.747142238e-01 5.46 -1.677368466e-01 -1.677368466e-01 5.48 -1.609934490e-01 -1.609934490e-01 5.50 -1.544888302e-01 -1.544888302e-01 5.52 -1.482279499e-01 -1.482279499e-01 5.54 -1.422151730e-01 -1.422151730e-01 5.56 -1.364535990e-01 -1.364535990e-01 5.58 -1.309445275e-01 -1.309445275e-01 5.60 -1.256870020e-01 -1.256870020e-01 5.62 -1.206775034e-01 -1.206775034e-01 5.64 -1.159106794e-01 -1.159106794e-01 5.66 -1.113789632e-01 -1.113789632e-01 5.68 -1.070727956e-01 -1.070727956e-01 5.70 -1.029809956e-01 -1.029809956e-01 5.72 -9.909116543e-02 -9.909116543e-02 5.74 -9.539009307e-02 -9.539009307e-02 5.76 -9.186412457e-02 -9.186412457e-02 5.78 -8.849948857e-02 -8.849948857e-02 5.80 -8.528256318e-02 -8.528256318e-02 5.82 -8.220008382e-02 -8.220008382e-02 5.84 -7.923929524e-02 -7.923929524e-02 5.86 -7.638805517e-02 -7.638805517e-02 5.88 -7.363489830e-02 -7.363489830e-02 5.90 -7.096907035e-02 -7.096907035e-02 5.92 -6.838054140e-02 -6.838054140e-02 5.94 -6.586000713e-02 -6.586000713e-02 5.96 -6.339888500e-02 -6.339888500e-02 5.98 -6.098931168e-02 -6.098931168e-02 6.00 -5.862414624e-02 -5.862414624e-02