# 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 = Pd3Ti # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.740174277e+02 nan nan 1.16 3.448169282e+02 nan nan 1.18 3.179421577e+02 nan nan 1.20 2.931891007e+02 nan nan 1.22 2.703743562e+02 nan nan 1.24 2.493323538e+02 nan nan 1.26 2.299124700e+02 nan nan 1.28 2.119774189e+02 3.254376450e+02 3.718807632e+02 1.30 1.954030248e+02 3.020493517e+02 3.458081864e+02 1.32 1.800775868e+02 2.803545487e+02 3.215958837e+02 1.34 1.659001291e+02 2.602193500e+02 2.990972131e+02 1.36 1.527784844e+02 2.415202997e+02 2.781800037e+02 1.38 1.406283233e+02 2.241442013e+02 2.587238608e+02 1.40 1.293728421e+02 2.079887806e+02 2.406183702e+02 1.42 1.189419327e+02 1.929620693e+02 2.237622719e+02 1.44 1.092706833e+02 1.789803402e+02 2.080625179e+02 1.46 1.002983476e+02 1.659662279e+02 1.934331454e+02 1.48 9.196846008e+01 1.538479705e+02 1.797946051e+02 1.50 8.422946229e+01 1.425592122e+02 1.670736428e+02 1.52 7.703497770e+01 1.320386778e+02 1.552031544e+02 1.54 7.034356629e+01 1.222296883e+02 1.441215593e+02 1.56 6.411818314e+01 1.130797173e+02 1.337719981e+02 1.58 5.832555100e+01 1.045401030e+02 1.241019495e+02 1.60 5.295253487e+01 9.656592414e+01 1.150632278e+02 1.62 4.801195131e+01 8.911593440e+01 1.066118143e+02 1.64 4.347189081e+01 8.215247171e+01 9.870725369e+01 1.66 3.930046705e+01 7.564135228e+01 9.131192198e+01 1.68 3.546840640e+01 6.955170320e+01 8.439060647e+01 1.70 3.194898293e+01 6.385555163e+01 7.791045006e+01 1.72 2.871772348e+01 5.852716496e+01 7.184099753e+01 1.74 2.575197760e+01 5.355080593e+01 6.615415361e+01 1.76 2.303053143e+01 4.894075921e+01 6.082406569e+01 1.78 2.053342453e+01 4.467466405e+01 5.582723690e+01 1.80 1.824201495e+01 4.072612018e+01 5.117053592e+01 1.82 1.613917257e+01 3.707109422e+01 4.685206665e+01 1.84 1.420941211e+01 3.368786886e+01 4.284760189e+01 1.86 1.243886165e+01 3.055679027e+01 3.913442291e+01 1.88 1.081509350e+01 2.765993228e+01 3.569133110e+01 1.90 9.326902209e+00 2.498078569e+01 3.249873070e+01 1.92 7.964098909e+00 2.250402991e+01 2.953864463e+01 1.94 6.717352238e+00 2.021538850e+01 2.679460037e+01 1.96 5.578077236e+00 1.810153886e+01 2.425142182e+01 1.98 4.538355130e+00 1.615004395e+01 2.189501205e+01 2.00 3.590860669e+00 1.434928832e+01 1.971220278e+01 2.02 2.728781357e+00 1.268841302e+01 1.769069218e+01 2.04 1.945731618e+00 1.115725407e+01 1.581903940e+01 2.06 1.235680737e+00 9.746295816e+00 1.408666749e+01 2.08 5.929137262e-01 8.446648132e+00 1.248384258e+01 2.10 1.202789901e-02 7.250042968e+00 1.100162148e+01 2.12 -5.120513510e-01 6.148834643e+00 9.631774399e+00 2.14 -9.840562237e-01 5.135988802e+00 8.366696904e+00 2.16 -1.408371699e+00 4.205055188e+00 7.199326335e+00 2.18 -1.789034793e+00 3.350127824e+00 6.123071771e+00 2.20 -2.129731934e+00 2.565798577e+00 5.131758679e+00 2.22 -2.433799142e+00 1.847107875e+00 4.219585562e+00 2.24 -2.704234656e+00 1.189495528e+00 3.381092114e+00 2.26 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-4.013797425e+00 -4.007887911e+00 -3.771218911e+00 2.64 -3.972403594e+00 -4.063276358e+00 -3.871901197e+00 2.66 -3.926177813e+00 -4.107577162e+00 -3.956957944e+00 2.68 -3.875809731e+00 -4.141525555e+00 -4.027476911e+00 2.70 -3.821871838e+00 -4.165990391e+00 -4.084537286e+00 2.72 -3.764842542e+00 -4.181969875e+00 -4.129226074e+00 2.74 -3.705127278e+00 -4.190192184e+00 -4.162645299e+00 2.76 -3.643076399e+00 -4.190704015e+00 -4.185904073e+00 2.78 -3.578999847e+00 -4.183617664e+00 -4.200231904e+00 2.80 -3.513178967e+00 -4.169119697e+00 -4.207501589e+00 2.82 -3.445875338e+00 -4.147462881e+00 -4.208248341e+00 2.84 -3.377337187e+00 -4.118963289e+00 -4.202763765e+00 2.86 -3.307803195e+00 -4.084007343e+00 -4.191350051e+00 2.88 -3.237503938e+00 -4.043086573e+00 -4.174303726e+00 2.90 -3.166661068e+00 -3.996816853e+00 -4.151910581e+00 2.92 -3.095484493e+00 -3.945885767e+00 -4.124446788e+00 2.94 -3.024168665e+00 -3.890981868e+00 -4.092182042e+00 2.96 -2.952888085e+00 -3.832773618e+00 -4.055410045e+00 2.98 -2.881794591e+00 -3.771888662e+00 -4.014506355e+00 3.00 -2.811016193e+00 -3.708896686e+00 -3.969833930e+00 3.02 -2.740658117e+00 -3.644298623e+00 -3.921726816e+00 3.04 -2.670805650e+00 -3.578522396e+00 -3.870494346e+00 3.06 -2.601528161e+00 -3.511923953e+00 -3.816424507e+00 3.08 -2.532883699e+00 -3.444791171e+00 -3.759786443e+00 3.10 -2.464923679e+00 -3.377350443e+00 -3.700832220e+00 3.12 -2.397697304e+00 -3.309774763e+00 -3.639798075e+00 3.14 -2.331255389e+00 -3.242193474e+00 -3.576905489e+00 3.16 -2.265653205e+00 -3.174702190e+00 -3.512362429e+00 3.18 -2.200951939e+00 -3.107372761e+00 -3.446365124e+00 3.20 -2.137218438e+00 -3.040261619e+00 -3.379100646e+00 3.22 -2.074523136e+00 -2.973416284e+00 -3.310750591e+00 3.24 -2.012936497e+00 -2.906879963e+00 -3.241495575e+00 3.26 -1.952524741e+00 -2.840694533e+00 -3.171520618e+00 3.28 -1.893345889e+00 -2.774902337e+00 -3.101020440e+00 3.30 -1.835447000e+00 -2.709547158e+00 -3.030203717e+00 3.32 -1.778862983e+00 -2.644674662e+00 -2.959294968e+00 3.34 -1.723616740e+00 -2.580332480e+00 -2.888532838e+00 3.36 -1.669720029e+00 -2.516570042e+00 -2.818164107e+00 3.38 -1.617174413e+00 -2.453438279e+00 -2.748433820e+00 3.40 -1.565972050e+00 -2.390989268e+00 -2.679573030e+00 3.42 -1.516096300e+00 -2.329276013e+00 -2.611786555e+00 3.44 -1.467522813e+00 -2.268352223e+00 -2.545243171e+00 3.46 -1.420220297e+00 -2.208272375e+00 -2.480070026e+00 3.48 -1.374152278e+00 -2.149091732e+00 -2.416351825e+00 3.50 -1.329278605e+00 -2.090866194e+00 -2.354134130e+00 3.52 -1.285556856e+00 -2.033651668e+00 -2.293429763e+00 3.54 -1.242943388e+00 -1.977502710e+00 -2.234225830e+00 3.56 -1.201393966e+00 -1.922470313e+00 -2.176491275e+00 3.58 -1.160864036e+00 -1.868599010e+00 -2.120183115e+00 3.60 -1.121308807e+00 -1.815923713e+00 -2.065251340e+00 3.62 -1.082683298e+00 -1.764466914e+00 -2.011642385e+00 3.64 -1.044942544e+00 -1.714236815e+00 -1.959301384e+00 3.66 -1.008042071e+00 -1.665226774e+00 -1.908173524e+00 3.68 -9.719387535e-01 -1.617416117e+00 -1.858204814e+00 3.70 -9.365920820e-01 -1.570772042e+00 -1.809342572e+00 3.72 -9.019658357e-01 -1.525252231e+00 -1.761535825e+00 3.74 -8.680300827e-01 -1.480807722e+00 -1.714735767e+00 3.76 -8.347633540e-01 -1.437385699e+00 -1.668896321e+00 3.78 -8.021547555e-01 -1.394931980e+00 -1.623974792e+00 3.80 -7.702057066e-01 -1.353393092e+00 -1.579932563e+00 3.82 -7.389309414e-01 -1.312717929e+00 -1.536735735e+00 3.84 -7.083584146e-01 -1.272859008e+00 -1.494355631e+00 3.86 -6.785278370e-01 -1.233773384e+00 -1.452769083e+00 3.88 -6.494877397e-01 -1.195423311e+00 -1.411958471e+00 3.90 -6.212912133e-01 -1.157776726e+00 -1.371911493e+00 3.92 -5.939907214e-01 -1.120807609e+00 -1.332620690e+00 3.94 -5.676327525e-01 -1.084496446e+00 -1.294082982e+00 3.96 -5.422527495e-01 -1.048830490e+00 -1.256298748e+00 3.98 -5.178714481e-01 -1.013804303e+00 -1.219271280e+00 4.00 -4.944927799e-01 -9.794201817e-01 -1.183006049e+00 4.02 -4.721036758e-01 -9.456885124e-01 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-2.939344141e-02 -4.351015086e-02 5.46 -2.843281220e-03 -2.814291629e-02 -4.172295549e-02 5.48 -2.440256198e-03 -2.693084543e-02 -3.997997079e-02 5.50 -2.090987977e-03 -2.575164591e-02 -3.827481734e-02 5.52 -1.789301296e-03 -2.460040716e-02 -3.660184889e-02 5.54 -1.529456524e-03 -2.347286895e-02 -3.495612933e-02 5.56 -1.306197359e-03 -2.236541608e-02 -3.333354400e-02 5.58 -1.114770031e-03 -2.127508445e-02 -3.173069740e-02 5.60 -9.509206569e-04 -2.019957740e-02 -3.014505962e-02 5.62 -8.108767890e-04 -1.913728908e-02 -2.857499858e-02 5.64 -6.913183789e-04 -1.808732935e-02 -2.701983720e-02 5.66 -5.893423742e-04 -1.704954393e-02 -2.547990102e-02 5.68 -5.024241911e-04 -1.602452280e-02 -2.395654590e-02 5.70 -4.283784800e-04 -1.501358983e-02 -2.245215544e-02 5.72 -3.653208652e-04 -1.401876666e-02 -2.097009803e-02 5.74 -3.116317557e-04 -1.304270589e-02 -1.951463607e-02 5.76 -2.659228873e-04 -1.208858965e-02 -1.809078256e-02 5.78 -2.270069300e-04 -1.115992747e-02 -1.670400645e-02 5.80 -1.938702556e-04 -1.026051594e-02 -1.536016781e-02 5.82 -1.656487974e-04 -9.394257524e-03 -1.406526476e-02 5.84 -1.416068446e-04 -8.564913766e-03 -1.282506149e-02 5.86 -1.211185466e-04 -7.775920293e-03 -1.164481431e-02 5.88 -1.036518741e-04 -7.030221760e-03 -1.052902706e-02 5.90 -8.875477784e-05 -6.330139045e-03 -9.481254399e-03 5.92 -7.604329104e-05 -5.677277725e-03 -8.503966694e-03 5.94 -6.519133712e-05 -5.072482363e-03 -7.598483196e-03 5.96 -5.592201828e-05 -4.515836362e-03 -6.764973339e-03 5.98 -4.800018816e-05 -4.006702834e-03 -6.002519312e-03 6.00 -4.122613000e-05 -3.543798664e-03 -5.309228222e-03