# 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 = PtTi3 # 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 3.761850009e+02 nan nan 1.16 3.478863474e+02 nan nan 1.18 3.218176272e+02 nan nan 1.20 2.977767464e+02 nan nan 1.22 2.755796213e+02 nan nan 1.24 2.550624153e+02 nan nan 1.26 2.360787669e+02 nan nan 1.28 2.184965020e+02 3.294771008e+02 3.745770401e+02 1.30 2.021966281e+02 3.067211740e+02 3.493434015e+02 1.32 1.870726142e+02 2.855599748e+02 3.258608459e+02 1.34 1.730289300e+02 2.658750425e+02 3.039875963e+02 1.36 1.599793559e+02 2.475591988e+02 2.835950285e+02 1.38 1.478460548e+02 2.305107570e+02 2.645674867e+02 1.40 1.365596404e+02 2.146319377e+02 2.468035176e+02 1.42 1.260586003e+02 1.998302395e+02 2.302152957e+02 1.44 1.162873180e+02 1.860201491e+02 2.147238109e+02 1.46 1.071944498e+02 1.731245295e+02 2.002531886e+02 1.48 9.873266596e+01 1.610755428e+02 1.867290977e+02 1.50 9.085831881e+01 1.498142243e+02 1.740813517e+02 1.52 8.353008779e+01 1.392883278e+02 1.622469795e+02 1.54 7.670775615e+01 1.294494353e+02 1.511708919e+02 1.56 7.035230719e+01 1.202507294e+02 1.408040494e+02 1.58 6.442696165e+01 1.116461226e+02 1.311008181e+02 1.60 5.889809033e+01 1.035906362e+02 1.220172479e+02 1.62 5.373544089e+01 9.604153463e+01 1.135108055e+02 1.64 4.891177268e+01 8.895969441e+01 1.055408547e+02 1.66 4.440240573e+01 8.231077603e+01 9.806915121e+01 1.68 4.018509151e+01 7.606585019e+01 9.106026646e+01 1.70 3.624025232e+01 7.020116385e+01 8.448199480e+01 1.72 3.256447040e+01 6.469688878e+01 7.830551959e+01 1.74 2.919208467e+01 5.953511620e+01 7.250509333e+01 1.76 2.610551336e+01 5.469789243e+01 6.705725856e+01 1.78 2.328181522e+01 5.016617107e+01 6.193991934e+01 1.80 2.069851833e+01 4.591995924e+01 5.713162858e+01 1.82 1.833413051e+01 4.193918396e+01 5.261131380e+01 1.84 1.616882262e+01 3.820457725e+01 4.835846702e+01 1.86 1.418486127e+01 3.469843529e+01 4.435367598e+01 1.88 1.236664914e+01 3.142761943e+01 4.057924632e+01 1.90 1.070048023e+01 2.840764628e+01 3.701964844e+01 1.92 9.174198139e+00 2.561875495e+01 3.366264590e+01 1.94 7.776883681e+00 2.304281317e+01 3.053210847e+01 1.96 6.498616442e+00 2.066342592e+01 2.763293948e+01 1.98 5.330309833e+00 1.846569561e+01 2.494982568e+01 2.00 4.263598780e+00 1.643601823e+01 2.246825810e+01 2.02 3.290747432e+00 1.456191865e+01 2.017431763e+01 2.04 2.404559949e+00 1.283191860e+01 1.805464260e+01 2.06 1.598296125e+00 1.123544110e+01 1.609651020e+01 2.08 8.656070778e-01 9.762754886e+00 1.428795844e+01 2.10 2.004989758e-01 8.404936979e+00 1.261788211e+01 2.12 -4.026707304e-01 7.153816037e+00 1.107605662e+01 2.14 -9.491649355e-01 6.001882204e+00 9.653084218e+00 2.16 -1.443819750e+00 4.942187234e+00 8.340290958e+00 2.18 -1.891005964e+00 3.968267192e+00 7.129616273e+00 2.20 -2.294627366e+00 3.074097408e+00 6.013530186e+00 2.22 -2.658157659e+00 2.254063672e+00 4.984994061e+00 2.24 -2.984700429e+00 1.502932359e+00 4.037459722e+00 2.26 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-4.950993833e+00 -4.657409411e+00 -4.306310277e+00 2.64 -4.933172888e+00 -4.738947077e+00 -4.438234326e+00 2.66 -4.909065217e+00 -4.808995879e+00 -4.553302076e+00 2.68 -4.879157766e+00 -4.868932927e+00 -4.652790982e+00 2.70 -4.843939694e+00 -4.919173291e+00 -4.737858304e+00 2.72 -4.803860446e+00 -4.960117278e+00 -4.809987894e+00 2.74 -4.759116349e+00 -4.992160119e+00 -4.871003040e+00 2.76 -4.709872496e+00 -5.015695189e+00 -4.921599320e+00 2.78 -4.656371699e+00 -5.031179619e+00 -4.962466880e+00 2.80 -4.598915289e+00 -5.039042622e+00 -4.994333655e+00 2.82 -4.537842966e+00 -5.039592410e+00 -5.017948362e+00 2.84 -4.473512764e+00 -5.033105149e+00 -5.034055634e+00 2.86 -4.406281554e+00 -5.019887320e+00 -5.043418131e+00 2.88 -4.336488806e+00 -5.000280135e+00 -5.046797828e+00 2.90 -4.264444334e+00 -4.974665790e+00 -5.044657084e+00 2.92 -4.190422075e+00 -4.943473625e+00 -5.037399979e+00 2.94 -4.114658808e+00 -4.907183903e+00 -5.025387314e+00 2.96 -4.037356541e+00 -4.866277451e+00 -5.008935969e+00 2.98 -3.958689580e+00 -4.821135650e+00 -4.988322947e+00 3.00 -3.878814680e+00 -4.772123726e+00 -4.963790305e+00 3.02 -3.797883835e+00 -4.719659365e+00 -4.935553631e+00 3.04 -3.716057819e+00 -4.664192141e+00 -4.903779157e+00 3.06 -3.633517822e+00 -4.606167932e+00 -4.868449806e+00 3.08 -3.550472328e+00 -4.545995168e+00 -4.829520305e+00 3.10 -3.467156928e+00 -4.484020653e+00 -4.786989967e+00 3.12 -3.383826408e+00 -4.420517159e+00 -4.740894285e+00 3.14 -3.300740726e+00 -4.355684661e+00 -4.691297436e+00 3.16 -3.218148530e+00 -4.289660633e+00 -4.638286072e+00 3.18 -3.136272543e+00 -4.222536980e+00 -4.581964790e+00 3.20 -3.055302538e+00 -4.154377123e+00 -4.522453686e+00 3.22 -2.975435908e+00 -4.085230733e+00 -4.459888543e+00 3.24 -2.896861406e+00 -4.015144486e+00 -4.394423273e+00 3.26 -2.819715255e+00 -3.944168765e+00 -4.326235067e+00 3.28 -2.744086393e+00 -3.872361045e+00 -4.255530798e+00 3.30 -2.670023914e+00 -3.799786934e+00 -4.182553295e+00 3.32 -2.597544796e+00 -3.726519793e+00 -4.107585235e+00 3.34 -2.526641685e+00 -3.652639677e+00 -4.030948351e+00 3.36 -2.457290694e+00 -3.578232142e+00 -3.952996371e+00 3.38 -2.389457814e+00 -3.503387296e+00 -3.874101675e+00 3.40 -2.323104777e+00 -3.428199353e+00 -3.794637509e+00 3.42 -2.258193122e+00 -3.352767040e+00 -3.714959038e+00 3.44 -2.194687293e+00 -3.277194373e+00 -3.635386782e+00 3.46 -2.132555836e+00 -3.201592339e+00 -3.556195019e+00 3.48 -2.071772389e+00 -3.126081428e+00 -3.477606164e+00 3.50 -2.012315531e+00 -3.050819613e+00 -3.399790464e+00 3.52 -1.954168596e+00 -2.976000826e+00 -3.322870674e+00 3.54 -1.897318516e+00 -2.901817012e+00 -3.246927526e+00 3.56 -1.841755285e+00 -2.828452914e+00 -3.172008216e+00 3.58 -1.787470989e+00 -2.756080715e+00 -3.098137553e+00 3.60 -1.734458947e+00 -2.684853405e+00 -3.025363357e+00 3.62 -1.682712882e+00 -2.614898383e+00 -2.953736677e+00 3.64 -1.632226153e+00 -2.546312825e+00 -2.883284561e+00 3.66 -1.582991040e+00 -2.479161842e+00 -2.814016922e+00 3.68 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-1.756214773e+00 4.04 -8.557663678e-01 -1.448092385e+00 -1.707354794e+00 4.06 -8.258909940e-01 -1.404264012e+00 -1.659557883e+00 4.08 -7.965340841e-01 -1.361317757e+00 -1.612843401e+00 4.10 -7.676486952e-01 -1.319252079e+00 -1.567231638e+00 4.12 -7.391909908e-01 -1.278072717e+00 -1.522741730e+00 4.14 -7.111218643e-01 -1.237791706e+00 -1.479389282e+00 4.16 -6.834088524e-01 -1.198427774e+00 -1.437183999e+00 4.18 -6.560282566e-01 -1.160004973e+00 -1.396127714e+00 4.20 -6.289671948e-01 -1.122550792e+00 -1.356213089e+00 4.22 -6.022262260e-01 -1.086093657e+00 -1.317423165e+00 4.24 -5.758200796e-01 -1.050660064e+00 -1.279731757e+00 4.26 -5.497792209e-01 -1.016271651e+00 -1.243104540e+00 4.28 -5.241495959e-01 -9.829425960e-01 -1.207500600e+00 4.30 -4.989912998e-01 -9.506776253e-01 -1.172874186e+00 4.32 -4.743758911e-01 -9.194708585e-01 -1.139176430e+00 4.34 -4.503824246e-01 -8.893055502e-01 -1.106356898e+00 4.36 -4.270924713e-01 -8.601546634e-01 -1.074364849e+00 4.38 -4.045846798e-01 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-8.107086227e-02 -1.203261234e-01 5.46 -2.650943410e-02 -7.765429036e-02 -1.154258576e-01 5.48 -2.539473218e-02 -7.433472137e-02 -1.106341151e-01 5.50 -2.430484435e-02 -7.109846094e-02 -1.059359632e-01 5.52 -2.323633457e-02 -6.793337720e-02 -1.013180354e-01 5.54 -2.218605014e-02 -6.482889489e-02 -9.676854979e-02 5.56 -2.115130523e-02 -6.177602082e-02 -9.227769809e-02 5.58 -2.012992255e-02 -5.876739691e-02 -8.783739318e-02 5.60 -1.912023078e-02 -5.579737580e-02 -8.344174070e-02 5.62 -1.812111471e-02 -5.286210882e-02 -7.908715978e-02 5.64 -1.713206112e-02 -4.995963302e-02 -7.477256951e-02 5.66 -1.615319531e-02 -4.708994101e-02 -7.049954188e-02 5.68 -1.518530267e-02 -4.425501519e-02 -6.627239428e-02 5.70 -1.422982896e-02 -4.145880680e-02 -6.209819283e-02 5.72 -1.328885375e-02 -3.870714222e-02 -5.798664084e-02 5.74 -1.236503244e-02 -3.600754236e-02 -5.394983206e-02 5.76 -1.146150490e-02 -3.336894823e-02 -5.000185930e-02 5.78 -1.058177151e-02 -3.080123252e-02 -4.615828320e-02 5.80 -9.729541410e-03 -2.831489388e-02 -4.243547900e-02 5.82 -8.908561349e-03 -2.592073778e-02 -3.884990109e-02 5.84 -8.122436430e-03 -2.362914860e-02 -3.541731454e-02 5.86 -7.374456130e-03 -2.144958318e-02 -3.215204875e-02 5.88 -6.667438928e-03 -1.939012094e-02 -2.906633168e-02 5.90 -6.003607323e-03 -1.745710340e-02 -2.616976629e-02 5.92 -5.384501799e-03 -1.565498046e-02 -2.346881403e-02 5.94 -4.810938068e-03 -1.398624120e-02 -2.096649551e-02 5.96 -4.283007388e-03 -1.245087139e-02 -1.866336373e-02 5.98 -3.800115684e-03 -1.104689803e-02 -1.655696163e-02 6.00 -3.361054077e-03 -9.770623744e-03 -1.464254690e-02