# 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 = Pt2TaZr # 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 4.975069009e+02 4.975069009e+02 1.30 4.658152480e+02 4.658152480e+02 1.32 4.362607965e+02 4.362607965e+02 1.34 4.086883546e+02 4.086883546e+02 1.36 3.829441652e+02 3.829441652e+02 1.38 3.588803177e+02 3.588803177e+02 1.40 3.363600713e+02 3.363600713e+02 1.42 3.152623496e+02 3.152623496e+02 1.44 2.954812337e+02 2.954812337e+02 1.46 2.769216831e+02 2.769216831e+02 1.48 2.594973893e+02 2.594973893e+02 1.50 2.431321188e+02 2.431321188e+02 1.52 2.277602607e+02 2.277602607e+02 1.54 2.133236481e+02 2.133236481e+02 1.56 1.997666488e+02 1.997666488e+02 1.58 1.870322055e+02 1.870322055e+02 1.60 1.750609057e+02 1.750609057e+02 1.62 1.637927520e+02 1.637927520e+02 1.64 1.531704580e+02 1.531704580e+02 1.66 1.431424349e+02 1.431424349e+02 1.68 1.336647031e+02 1.336647031e+02 1.70 1.247011097e+02 1.247011097e+02 1.72 1.162218892e+02 1.162218892e+02 1.74 1.082008595e+02 1.082008595e+02 1.76 1.006123792e+02 1.006123792e+02 1.78 9.342947106e+01 9.342947106e+01 1.80 8.662404783e+01 8.662404783e+01 1.82 8.016862339e+01 8.016862339e+01 1.84 7.403867784e+01 7.403867784e+01 1.86 6.821421297e+01 6.821421297e+01 1.88 6.267986650e+01 6.267986650e+01 1.90 5.742360598e+01 5.742360598e+01 1.92 5.243494452e+01 5.243494452e+01 1.94 4.770629453e+01 4.770629453e+01 1.96 4.322830062e+01 4.322830062e+01 1.98 3.899157259e+01 3.899157259e+01 2.00 3.505740778e+01 3.505740778e+01 2.02 3.144215412e+01 3.144215412e+01 2.04 2.812283405e+01 2.812283405e+01 2.06 2.507749078e+01 2.507749078e+01 2.08 2.228504178e+01 2.228504178e+01 2.10 1.972535515e+01 1.972535515e+01 2.12 1.737932465e+01 1.737932465e+01 2.14 1.522895106e+01 1.522895106e+01 2.16 1.325736094e+01 1.325736094e+01 2.18 1.144885856e+01 1.144885856e+01 2.20 9.789031057e+00 9.789031057e+00 2.22 8.264833595e+00 8.264833595e+00 2.24 6.864612868e+00 6.864612868e+00 2.26 5.578047418e+00 5.578047418e+00 2.28 4.396020613e+00 4.396020613e+00 2.30 3.310471010e+00 3.310471010e+00 2.32 2.314247158e+00 2.314247158e+00 2.34 1.400930615e+00 1.400930615e+00 2.36 5.647328852e-01 5.647328852e-01 2.38 -1.996168323e-01 -1.996168323e-01 2.40 -8.969624193e-01 -8.969624193e-01 2.42 -1.531810067e+00 -1.531810067e+00 2.44 -2.108409422e+00 -2.108409422e+00 2.46 -2.630835440e+00 -2.630835440e+00 2.48 -3.103048491e+00 -3.103048491e+00 2.50 -3.528927616e+00 -3.528927616e+00 2.52 -3.912271022e+00 -3.912271022e+00 2.54 -4.256763463e+00 -4.256763463e+00 2.56 -4.565915418e+00 -4.565915418e+00 2.58 -4.842987207e+00 -4.842987207e+00 2.60 -5.090919439e+00 -5.090919439e+00 2.62 -5.312291410e+00 -5.312291410e+00 2.64 -5.509320482e+00 -5.509320482e+00 2.66 -5.683894998e+00 -5.683894998e+00 2.68 -5.837608485e+00 -5.837608485e+00 2.70 -5.971802039e+00 -5.971802039e+00 2.72 -6.087777791e+00 -6.087777791e+00 2.74 -6.186714279e+00 -6.186714279e+00 2.76 -6.269721005e+00 -6.269721005e+00 2.78 -6.337784171e+00 -6.337784171e+00 2.80 -6.391760971e+00 -6.391760971e+00 2.82 -6.432450772e+00 -6.432450772e+00 2.84 -6.460999238e+00 -6.460999238e+00 2.86 -6.479968206e+00 -6.479968206e+00 2.88 -6.489832318e+00 -6.489832318e+00 2.90 -6.490722930e+00 -6.490722930e+00 2.92 -6.482853817e+00 -6.482853817e+00 2.94 -6.466518578e+00 -6.466518578e+00 2.96 -6.442025877e+00 -6.442025877e+00 2.98 -6.409770481e+00 -6.409770481e+00 3.00 -6.370227613e+00 -6.370227613e+00 3.02 -6.323916900e+00 -6.323916900e+00 3.04 -6.271362287e+00 -6.271362287e+00 3.06 -6.213068343e+00 -6.213068343e+00 3.08 -6.149482146e+00 -6.149482146e+00 3.10 -6.080993348e+00 -6.080993348e+00 3.12 -6.007929941e+00 -6.007929941e+00 3.14 -5.930576881e+00 -5.930576881e+00 3.16 -5.849175319e+00 -5.849175319e+00 3.18 -5.763948602e+00 -5.763948602e+00 3.20 -5.675114319e+00 -5.675114319e+00 3.22 -5.582897605e+00 -5.582897605e+00 3.24 -5.487542394e+00 -5.487542394e+00 3.26 -5.389320015e+00 -5.389320015e+00 3.28 -5.288534065e+00 -5.288534065e+00 3.30 -5.185520271e+00 -5.185520271e+00 3.32 -5.080640496e+00 -5.080640496e+00 3.34 -4.974271204e+00 -4.974271204e+00 3.36 -4.866788116e+00 -4.866788116e+00 3.38 -4.758549834e+00 -4.758549834e+00 3.40 -4.649882439e+00 -4.649882439e+00 3.42 -4.541072363e+00 -4.541072363e+00 3.44 -4.432354964e+00 -4.432354964e+00 3.46 -4.323917109e+00 -4.323917109e+00 3.48 -4.215898291e+00 -4.215898291e+00 3.50 -4.108395186e+00 -4.108395186e+00 3.52 -4.001467561e+00 -4.001467561e+00 3.54 -3.895144820e+00 -3.895144820e+00 3.56 -3.789432704e+00 -3.789432704e+00 3.58 -3.684319941e+00 -3.684319941e+00 3.60 -3.579784739e+00 -3.579784739e+00 3.62 -3.475801120e+00 -3.475801120e+00 3.64 -3.372345100e+00 -3.372345100e+00 3.66 -3.269400698e+00 -3.269400698e+00 3.68 -3.166965684e+00 -3.166965684e+00 3.70 -3.065056907e+00 -3.065056907e+00 3.72 -2.963714935e+00 -2.963714935e+00 3.74 -2.863044066e+00 -2.863044066e+00 3.76 -2.763335063e+00 -2.763335063e+00 3.78 -2.664925581e+00 -2.664925581e+00 3.80 -2.568145562e+00 -2.568145562e+00 3.82 -2.473311439e+00 -2.473311439e+00 3.84 -2.380718698e+00 -2.380718698e+00 3.86 -2.290633556e+00 -2.290633556e+00 3.88 -2.203284676e+00 -2.203284676e+00 3.90 -2.118855916e+00 -2.118855916e+00 3.92 -2.037479392e+00 -2.037479392e+00 3.94 -1.959240106e+00 -1.959240106e+00 3.96 -1.884165477e+00 -1.884165477e+00 3.98 -1.812237219e+00 -1.812237219e+00 4.00 -1.743395961e+00 -1.743395961e+00 4.02 -1.677549930e+00 -1.677549930e+00 4.04 -1.614584611e+00 -1.614584611e+00 4.06 -1.554372354e+00 -1.554372354e+00 4.08 -1.496781074e+00 -1.496781074e+00 4.10 -1.441678059e+00 -1.441678059e+00 4.12 -1.388949094e+00 -1.388949094e+00 4.14 -1.338479237e+00 -1.338479237e+00 4.16 -1.290169445e+00 -1.290169445e+00 4.18 -1.243931376e+00 -1.243931376e+00 4.20 -1.199684984e+00 -1.199684984e+00 4.22 -1.157355246e+00 -1.157355246e+00 4.24 -1.116868616e+00 -1.116868616e+00 4.26 -1.078149767e+00 -1.078149767e+00 4.28 -1.041119083e+00 -1.041119083e+00 4.30 -1.005691146e+00 -1.005691146e+00 4.32 -9.717742979e-01 -9.717742979e-01 4.34 -9.392711348e-01 -9.392711348e-01 4.36 -9.080797123e-01 -9.080797123e-01 4.38 -8.780951473e-01 -8.780951473e-01 4.40 -8.492113459e-01 -8.492113459e-01 4.42 -8.213226339e-01 -8.213226339e-01 4.44 -7.943251508e-01 -7.943251508e-01 4.46 -7.681179496e-01 -7.681179496e-01 4.48 -7.426038135e-01 -7.426038135e-01 4.50 -7.176898465e-01 -7.176898465e-01 4.52 -6.932879256e-01 -6.932879256e-01 4.54 -6.693151082e-01 -6.693151082e-01 4.56 -6.456940932e-01 -6.456940932e-01 4.58 -6.223538145e-01 -6.223538145e-01 4.60 -5.992302323e-01 -5.992302323e-01 4.62 -5.762673593e-01 -5.762673593e-01 4.64 -5.534185289e-01 -5.534185289e-01 4.66 -5.306478723e-01 -5.306478723e-01 4.68 -5.079319319e-01 -5.079319319e-01 4.70 -4.852612887e-01 -4.852612887e-01 4.72 -4.626420392e-01 -4.626420392e-01 4.74 -4.400969181e-01 -4.400969181e-01 4.76 -4.176658440e-01 -4.176658440e-01 4.78 -3.954056734e-01 -3.954056734e-01 4.80 -3.733859337e-01 -3.733859337e-01 4.82 -3.516992669e-01 -3.516992669e-01 4.84 -3.304381645e-01 -3.304381645e-01 4.86 -3.097046784e-01 -3.097046784e-01 4.88 -2.896019011e-01 -2.896019011e-01 4.90 -2.702288773e-01 -2.702288773e-01 4.92 -2.516757104e-01 -2.516757104e-01 4.94 -2.340192902e-01 -2.340192902e-01 4.96 -2.173199971e-01 -2.173199971e-01 4.98 -2.016196091e-01 -2.016196091e-01 5.00 -1.869404963e-01 -1.869404963e-01 5.02 -1.732860363e-01 -1.732860363e-01 5.04 -1.606420656e-01 -1.606420656e-01 5.06 -1.489791084e-01 -1.489791084e-01 5.08 -1.382550895e-01 -1.382550895e-01 5.10 -1.284182533e-01 -1.284182533e-01 5.12 -1.194100511e-01 -1.194100511e-01 5.14 -1.111678188e-01 -1.111678188e-01 5.16 -1.036271270e-01 -1.036271270e-01 5.18 -9.672374789e-02 -9.672374789e-02 5.20 -9.039522219e-02 -9.039522219e-02 5.22 -8.458205402e-02 -8.458205402e-02 5.24 -7.922857093e-02 -7.922857093e-02 5.26 -7.428343967e-02 -7.428343967e-02 5.28 -6.969994459e-02 -6.969994459e-02 5.30 -6.543667155e-02 -6.543667155e-02 5.32 -6.145710691e-02 -6.145710691e-02 5.34 -5.772955178e-02 -5.772955178e-02 5.36 -5.422699081e-02 -5.422699081e-02 5.38 -5.092687261e-02 -5.092687261e-02 5.40 -4.781081167e-02 -4.781081167e-02 5.42 -4.486421459e-02 -4.486421459e-02 5.44 -4.207584282e-02 -4.207584282e-02 5.46 -3.943731338e-02 -3.943731338e-02 5.48 -3.694255247e-02 -3.694255247e-02 5.50 -3.458722553e-02 -3.458722553e-02 5.52 -3.236816672e-02 -3.236816672e-02 5.54 -3.028283620e-02 -3.028283620e-02 5.56 -2.832884200e-02 -2.832884200e-02 5.58 -2.650354874e-02 -2.650354874e-02 5.60 -2.480378427e-02 -2.480378427e-02 5.62 -2.322551271e-02 -2.322551271e-02 5.64 -2.176411532e-02 -2.176411532e-02 5.66 -2.041428463e-02 -2.041428463e-02 5.68 -1.917000799e-02 -1.917000799e-02 5.70 -1.802472012e-02 -1.802472012e-02 5.72 -1.697147969e-02 -1.697147969e-02 5.74 -1.600315003e-02 -1.600315003e-02 5.76 -1.511256827e-02 -1.511256827e-02 5.78 -1.429269282e-02 -1.429269282e-02 5.80 -1.353672336e-02 -1.353672336e-02 5.82 -1.283819175e-02 -1.283819175e-02 5.84 -1.219102517e-02 -1.219102517e-02 5.86 -1.158958443e-02 -1.158958443e-02 5.88 -1.102868179e-02 -1.102868179e-02 5.90 -1.050358251e-02 -1.050358251e-02 5.92 -1.000999463e-02 -1.000999463e-02 5.94 -9.544050669e-03 -9.544050669e-03 5.96 -9.102284640e-03 -9.102284640e-03 5.98 -8.681606978e-03 -8.681606978e-03 6.00 -8.279279424e-03 -8.279279424e-03