# 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 = PtTi2Zr # 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 3.778501243e+02 3.778501243e+02 1.30 3.524671841e+02 3.524671841e+02 1.32 3.288346315e+02 3.288346315e+02 1.34 3.068278182e+02 3.068278182e+02 1.36 2.863342319e+02 2.863342319e+02 1.38 2.672448346e+02 2.672448346e+02 1.40 2.494515634e+02 2.494515634e+02 1.42 2.328504609e+02 2.328504609e+02 1.44 2.173453662e+02 2.173453662e+02 1.46 2.028501882e+02 2.028501882e+02 1.48 1.892897878e+02 1.892897878e+02 1.50 1.765992393e+02 1.765992393e+02 1.52 1.647211581e+02 1.647211581e+02 1.54 1.536025791e+02 1.536025791e+02 1.56 1.431924374e+02 1.431924374e+02 1.58 1.334406159e+02 1.334406159e+02 1.60 1.242983311e+02 1.242983311e+02 1.62 1.157194246e+02 1.157194246e+02 1.64 1.076617218e+02 1.076617218e+02 1.66 1.000880080e+02 1.000880080e+02 1.68 9.296639667e+01 9.296639667e+01 1.70 8.626987479e+01 8.626987479e+01 1.72 7.997526528e+01 7.997526528e+01 1.74 7.406154979e+01 7.406154979e+01 1.76 6.850813409e+01 6.850813409e+01 1.78 6.329389312e+01 6.329389312e+01 1.80 5.839733870e+01 5.839733870e+01 1.82 5.379746448e+01 5.379746448e+01 1.84 4.947440246e+01 4.947440246e+01 1.86 4.540959594e+01 4.540959594e+01 1.88 4.158561107e+01 4.158561107e+01 1.90 3.798608342e+01 3.798608342e+01 1.92 3.459614666e+01 3.459614666e+01 1.94 3.140221409e+01 3.140221409e+01 1.96 2.841739266e+01 2.841739266e+01 1.98 2.565418167e+01 2.565418167e+01 2.00 2.309614204e+01 2.309614204e+01 2.02 2.072818735e+01 2.072818735e+01 2.04 1.853646005e+01 1.853646005e+01 2.06 1.650822249e+01 1.650822249e+01 2.08 1.463178164e+01 1.463178164e+01 2.10 1.289636566e+01 1.289636566e+01 2.12 1.129204884e+01 1.129204884e+01 2.14 9.809634473e+00 9.809634473e+00 2.16 8.440567040e+00 8.440567040e+00 2.18 7.176865470e+00 7.176865470e+00 2.20 6.011088447e+00 6.011088447e+00 2.22 4.936300753e+00 4.936300753e+00 2.24 3.946054294e+00 3.946054294e+00 2.26 3.034374861e+00 3.034374861e+00 2.28 2.195770072e+00 2.195770072e+00 2.30 1.425194540e+00 1.425194540e+00 2.32 7.180178961e-01 7.180178961e-01 2.34 6.997825321e-02 6.997825321e-02 2.36 -5.228926812e-01 -5.228926812e-01 2.38 -1.064316890e+00 -1.064316890e+00 2.40 -1.557805820e+00 -1.557805820e+00 2.42 -2.006691821e+00 -2.006691821e+00 2.44 -2.414151549e+00 -2.414151549e+00 2.46 -2.783237195e+00 -2.783237195e+00 2.48 -3.116898135e+00 -3.116898135e+00 2.50 -3.417989390e+00 -3.417989390e+00 2.52 -3.689258897e+00 -3.689258897e+00 2.54 -3.933313182e+00 -3.933313182e+00 2.56 -4.152570095e+00 -4.152570095e+00 2.58 -4.349214190e+00 -4.349214190e+00 2.60 -4.525170524e+00 -4.525170524e+00 2.62 -4.682103713e+00 -4.682103713e+00 2.64 -4.821451305e+00 -4.821451305e+00 2.66 -4.944453209e+00 -4.944453209e+00 2.68 -5.052205558e+00 -5.052205558e+00 2.70 -5.145697838e+00 -5.145697838e+00 2.72 -5.225843490e+00 -5.225843490e+00 2.74 -5.293548196e+00 -5.293548196e+00 2.76 -5.349916842e+00 -5.349916842e+00 2.78 -5.396604241e+00 -5.396604241e+00 2.80 -5.434069492e+00 -5.434069492e+00 2.82 -5.462679201e+00 -5.462679201e+00 2.84 -5.482811081e+00 -5.482811081e+00 2.86 -5.494852108e+00 -5.494852108e+00 2.88 -5.499202359e+00 -5.499202359e+00 2.90 -5.496276550e+00 -5.496276550e+00 2.92 -5.486476440e+00 -5.486476440e+00 2.94 -5.470192013e+00 -5.470192013e+00 2.96 -5.447759474e+00 -5.447759474e+00 2.98 -5.419584054e+00 -5.419584054e+00 3.00 -5.386130489e+00 -5.386130489e+00 3.02 -5.347903606e+00 -5.347903606e+00 3.04 -5.305421362e+00 -5.305421362e+00 3.06 -5.259198066e+00 -5.259198066e+00 3.08 -5.209703517e+00 -5.209703517e+00 3.10 -5.157355388e+00 -5.157355388e+00 3.12 -5.102449341e+00 -5.102449341e+00 3.14 -5.045141596e+00 -5.045141596e+00 3.16 -4.985545871e+00 -4.985545871e+00 3.18 -4.923760067e+00 -4.923760067e+00 3.20 -4.859873234e+00 -4.859873234e+00 3.22 -4.793973871e+00 -4.793973871e+00 3.24 -4.726156576e+00 -4.726156576e+00 3.26 -4.656526982e+00 -4.656526982e+00 3.28 -4.585204896e+00 -4.585204896e+00 3.30 -4.512325285e+00 -4.512325285e+00 3.32 -4.438036760e+00 -4.438036760e+00 3.34 -4.362497646e+00 -4.362497646e+00 3.36 -4.285870445e+00 -4.285870445e+00 3.38 -4.208316072e+00 -4.208316072e+00 3.40 -4.129988486e+00 -4.129988486e+00 3.42 -4.051035747e+00 -4.051035747e+00 3.44 -3.971594536e+00 -3.971594536e+00 3.46 -3.891795885e+00 -3.891795885e+00 3.48 -3.811766928e+00 -3.811766928e+00 3.50 -3.731633615e+00 -3.731633615e+00 3.52 -3.651522421e+00 -3.651522421e+00 3.54 -3.571560426e+00 -3.571560426e+00 3.56 -3.491873519e+00 -3.491873519e+00 3.58 -3.412582961e+00 -3.412582961e+00 3.60 -3.333800984e+00 -3.333800984e+00 3.62 -3.255626487e+00 -3.255626487e+00 3.64 -3.178157319e+00 -3.178157319e+00 3.66 -3.101507010e+00 -3.101507010e+00 3.68 -3.025766840e+00 -3.025766840e+00 3.70 -2.951002929e+00 -2.951002929e+00 3.72 -2.877260905e+00 -2.877260905e+00 3.74 -2.804571100e+00 -2.804571100e+00 3.76 -2.732953745e+00 -2.732953745e+00 3.78 -2.662423699e+00 -2.662423699e+00 3.80 -2.592994389e+00 -2.592994389e+00 3.82 -2.524680670e+00 -2.524680670e+00 3.84 -2.457500410e+00 -2.457500410e+00 3.86 -2.391474688e+00 -2.391474688e+00 3.88 -2.326626662e+00 -2.326626662e+00 3.90 -2.262979387e+00 -2.262979387e+00 3.92 -2.200551632e+00 -2.200551632e+00 3.94 -2.139361116e+00 -2.139361116e+00 3.96 -2.079412997e+00 -2.079412997e+00 3.98 -2.020705606e+00 -2.020705606e+00 4.00 -1.963229011e+00 -1.963229011e+00 4.02 -1.906966587e+00 -1.906966587e+00 4.04 -1.851897544e+00 -1.851897544e+00 4.06 -1.797999959e+00 -1.797999959e+00 4.08 -1.745253913e+00 -1.745253913e+00 4.10 -1.693640104e+00 -1.693640104e+00 4.12 -1.643159637e+00 -1.643159637e+00 4.14 -1.593807543e+00 -1.593807543e+00 4.16 -1.545592532e+00 -1.545592532e+00 4.18 -1.498530901e+00 -1.498530901e+00 4.20 -1.452644563e+00 -1.452644563e+00 4.22 -1.407958223e+00 -1.407958223e+00 4.24 -1.364496036e+00 -1.364496036e+00 4.26 -1.322278140e+00 -1.322278140e+00 4.28 -1.281317536e+00 -1.281317536e+00 4.30 -1.241617649e+00 -1.241617649e+00 4.32 -1.203170848e+00 -1.203170848e+00 4.34 -1.165957995e+00 -1.165957995e+00 4.36 -1.129948942e+00 -1.129948942e+00 4.38 -1.095103800e+00 -1.095103800e+00 4.40 -1.061374696e+00 -1.061374696e+00 4.42 -1.028707752e+00 -1.028707752e+00 4.44 -9.970450698e-01 -9.970450698e-01 4.46 -9.663265274e-01 -9.663265274e-01 4.48 -9.364913119e-01 -9.364913119e-01 4.50 -9.074791456e-01 -9.074791456e-01 4.52 -8.792312309e-01 -8.792312309e-01 4.54 -8.516909645e-01 -8.516909645e-01 4.56 -8.248044912e-01 -8.248044912e-01 4.58 -7.985211695e-01 -7.985211695e-01 4.60 -7.727940141e-01 -7.727940141e-01 4.62 -7.475801670e-01 -7.475801670e-01 4.64 -7.228414279e-01 -7.228414279e-01 4.66 -6.985448555e-01 -6.985448555e-01 4.68 -6.746634240e-01 -6.746634240e-01 4.70 -6.511766980e-01 -6.511766980e-01 4.72 -6.280714630e-01 -6.280714630e-01 4.74 -6.053422338e-01 -6.053422338e-01 4.76 -5.829915501e-01 -5.829915501e-01 4.78 -5.610299715e-01 -5.610299715e-01 4.80 -5.394725636e-01 -5.394725636e-01 4.82 -5.183511734e-01 -5.183511734e-01 4.84 -4.976927263e-01 -4.976927263e-01 4.86 -4.775319857e-01 -4.775319857e-01 4.88 -4.579059426e-01 -4.579059426e-01 4.90 -4.388518578e-01 -4.388518578e-01 4.92 -4.204053341e-01 -4.204053341e-01 4.94 -4.025985638e-01 -4.025985638e-01 4.96 -3.854588688e-01 -3.854588688e-01 4.98 -3.690076028e-01 -3.690076028e-01 5.00 -3.532594408e-01 -3.532594408e-01 5.02 -3.382220334e-01 -3.382220334e-01 5.04 -3.238959843e-01 -3.238959843e-01 5.06 -3.102750897e-01 -3.102750897e-01 5.08 -2.973467883e-01 -2.973467883e-01 5.10 -2.850927732e-01 -2.850927732e-01 5.12 -2.734897300e-01 -2.734897300e-01 5.14 -2.625101667e-01 -2.625101667e-01 5.16 -2.521233035e-01 -2.521233035e-01 5.18 -2.422959860e-01 -2.422959860e-01 5.20 -2.329935843e-01 -2.329935843e-01 5.22 -2.241808402e-01 -2.241808402e-01 5.24 -2.158226278e-01 -2.158226278e-01 5.26 -2.078846056e-01 -2.078846056e-01 5.28 -2.003337427e-01 -2.003337427e-01 5.30 -1.931387165e-01 -1.931387165e-01 5.32 -1.862701878e-01 -1.862701878e-01 5.34 -1.797009626e-01 -1.797009626e-01 5.36 -1.734060583e-01 -1.734060583e-01 5.38 -1.673626903e-01 -1.673626903e-01 5.40 -1.615501974e-01 -1.615501974e-01 5.42 -1.559499212e-01 -1.559499212e-01 5.44 -1.505450560e-01 -1.505450560e-01 5.46 -1.453204827e-01 -1.453204827e-01 5.48 -1.402625994e-01 -1.402625994e-01 5.50 -1.353591614e-01 -1.353591614e-01 5.52 -1.305991408e-01 -1.305991408e-01 5.54 -1.259726136e-01 -1.259726136e-01 5.56 -1.214706806e-01 -1.214706806e-01 5.58 -1.170854249e-01 -1.170854249e-01 5.60 -1.128099029e-01 -1.128099029e-01 5.62 -1.086381639e-01 -1.086381639e-01 5.64 -1.045652876e-01 -1.045652876e-01 5.66 -1.005874273e-01 -1.005874273e-01 5.68 -9.670184195e-02 -9.670184195e-02 5.70 -9.290690336e-02 -9.290690336e-02 5.72 -8.920206264e-02 -8.920206264e-02 5.74 -8.558776566e-02 -8.558776566e-02 5.76 -8.206531138e-02 -8.206531138e-02 5.78 -7.863665353e-02 -7.863665353e-02 5.80 -7.530415186e-02 -7.530415186e-02 5.82 -7.207028830e-02 -7.207028830e-02 5.84 -6.893737747e-02 -6.893737747e-02 5.86 -6.590727314e-02 -6.590727314e-02 5.88 -6.298111151e-02 -6.298111151e-02 5.90 -6.015910885e-02 -6.015910885e-02 5.92 -5.744037480e-02 -5.744037480e-02 5.94 -5.482307189e-02 -5.482307189e-02 5.96 -5.230456294e-02 -5.230456294e-02 5.98 -4.988056210e-02 -4.988056210e-02 6.00 -4.754601535e-02 -4.754601535e-02