# 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 = AlTa3 # 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 3.496313132e+02 nan nan 1.16 3.227907363e+02 nan nan 1.18 2.980902582e+02 nan nan 1.20 2.753458742e+02 nan nan 1.22 2.543910968e+02 nan nan 1.24 2.350731828e+02 nan nan 1.26 2.172504314e+02 nan nan 1.28 2.007913237e+02 3.050600533e+02 3.482651796e+02 1.30 1.855751637e+02 2.835421082e+02 3.242792567e+02 1.32 1.714930789e+02 2.635895289e+02 3.020125369e+02 1.34 1.584482548e+02 2.450799023e+02 2.813257076e+02 1.36 1.463551183e+02 2.278987523e+02 2.620911312e+02 1.38 1.351379731e+02 2.119397630e+02 2.441934108e+02 1.40 1.247295846e+02 1.971053655e+02 2.275286557e+02 1.42 1.150697600e+02 1.833069294e+02 2.120031581e+02 1.44 1.061038219e+02 1.704641472e+02 1.975319603e+02 1.46 9.778116178e+01 1.585038204e+02 1.840374803e+02 1.48 9.005425264e+01 1.473586007e+02 1.714483774e+02 1.50 8.287827588e+01 1.369660864e+02 1.596987875e+02 1.52 7.621118758e+01 1.272683641e+02 1.487278511e+02 1.54 7.001392664e+01 1.182119235e+02 1.384793726e+02 1.56 6.425054460e+01 1.097478141e+02 1.289015390e+02 1.58 5.888818414e+01 1.018318333e+02 1.199467070e+02 1.60 5.389694169e+01 9.442451694e+01 1.115712527e+02 1.62 4.924966631e+01 8.749082322e+01 1.037353860e+02 1.64 4.492171359e+01 8.099957759e+01 9.640280047e+01 1.66 4.089065850e+01 7.492283301e+01 8.954012897e+01 1.68 3.713599006e+01 6.923527340e+01 8.311631729e+01 1.70 3.363883982e+01 6.391369534e+01 7.710209223e+01 1.72 3.038179839e+01 5.893653115e+01 7.146964529e+01 1.74 2.734882562e+01 5.428338601e+01 6.619256477e+01 1.76 2.452522212e+01 4.993463201e+01 6.124597459e+01 1.78 2.190672309e+01 4.587114909e+01 5.660677968e+01 1.80 1.948707072e+01 4.207427023e+01 5.225388708e+01 1.82 1.725319155e+01 3.852590580e+01 4.816829244e+01 1.84 1.519384404e+01 3.520875758e+01 4.433298927e+01 1.86 1.329772862e+01 3.210652689e+01 4.073273070e+01 1.88 1.155318826e+01 2.920405513e+01 3.735371467e+01 1.90 9.949095570e+00 2.648737777e+01 3.418326336e+01 1.92 8.474955335e+00 2.394437607e+01 3.120954209e+01 1.94 7.120978858e+00 2.157126440e+01 2.842133284e+01 1.96 5.878089053e+00 1.936285109e+01 2.580786295e+01 1.98 4.737854701e+00 1.730923832e+01 2.336021655e+01 2.00 3.692379844e+00 1.540116683e+01 2.107790598e+01 2.02 2.734188811e+00 1.363005461e+01 1.895186928e+01 2.04 1.856149456e+00 1.198647022e+01 1.697169958e+01 2.06 1.051463009e+00 1.046149319e+01 1.512795469e+01 2.08 3.137191145e-01 9.046782131e+00 1.341293977e+01 2.10 -3.630169346e-01 7.734624155e+00 1.181848021e+01 2.12 -9.841321067e-01 6.517951301e+00 1.033690259e+01 2.14 -1.554442974e+00 5.390320678e+00 8.961086481e+00 2.16 -2.078225553e+00 4.345866996e+00 7.684323511e+00 2.18 -2.559273237e+00 3.379239452e+00 6.500174980e+00 2.20 -3.000952371e+00 2.485531520e+00 5.402361492e+00 2.22 -3.406240999e+00 1.660206982e+00 4.384715690e+00 2.24 -3.777757712e+00 8.990230228e-01 3.441215079e+00 2.26 -4.117796837e+00 1.979526319e-01 2.566087172e+00 2.28 -4.428378843e+00 -4.468874596e-01 1.753952024e+00 2.30 -4.711311425e+00 -1.039293344e+00 9.999522235e-01 2.32 -4.968249191e+00 -1.583004210e+00 2.998270898e-01 2.34 -5.200741347e+00 -2.081698551e+00 -3.500877312e-01 2.36 -5.410263066e+00 -2.538956126e+00 -9.529262934e-01 2.38 -5.598231875e+00 -2.958194868e+00 -1.511397419e+00 2.40 -5.766013353e+00 -3.342599969e+00 -2.027898991e+00 2.42 -5.914920532e+00 -3.695064859e+00 -2.504618910e+00 2.44 -6.046210164e+00 -4.018159236e+00 -2.943610881e+00 2.46 -6.161040789e+00 -4.314130034e+00 -3.346842649e+00 2.48 -6.260301073e+00 -4.584931255e+00 -3.716220300e+00 2.50 -6.345203250e+00 -4.832272335e+00 -4.053595078e+00 2.52 -6.416932802e+00 -5.057673441e+00 -4.360760023e+00 2.54 -6.476548086e+00 -5.262518524e+00 -4.639443540e+00 2.56 -6.524977192e+00 -5.448100176e+00 -4.891305784e+00 2.58 -6.563018413e+00 -5.615652356e+00 -5.117941513e+00 2.60 -6.591346052e+00 -5.766367980e+00 -5.320890037e+00 2.62 -6.610522157e+00 -5.901399996e+00 -5.501649914e+00 2.64 -6.620938733e+00 -6.021848149e+00 -5.661694187e+00 2.66 -6.622475243e+00 -6.128681152e+00 -5.802481394e+00 2.68 -6.614884278e+00 -6.222707007e+00 -5.925458693e+00 2.70 -6.597999686e+00 -6.304868901e+00 -6.032055297e+00 2.72 -6.571745467e+00 -6.375958056e+00 -6.123667111e+00 2.74 -6.536141511e+00 -6.436750968e+00 -6.201635961e+00 2.76 -6.491302719e+00 -6.487920740e+00 -6.267109589e+00 2.78 -6.437428893e+00 -6.530047839e+00 -6.321104801e+00 2.80 -6.374785352e+00 -6.563640406e+00 -6.364955126e+00 2.82 -6.303677190e+00 -6.589151512e+00 -6.399872083e+00 2.84 -6.224553410e+00 -6.606968426e+00 -6.426937733e+00 2.86 -6.138385531e+00 -6.617230765e+00 -6.447120868e+00 2.88 -6.045275757e+00 -6.619988867e+00 -6.461290661e+00 2.90 -5.945195170e+00 -6.615310885e+00 -6.470224084e+00 2.92 -5.838135369e+00 -6.603209804e+00 -6.474603718e+00 2.94 -5.724118722e+00 -6.583736922e+00 -6.474798186e+00 2.96 -5.603216633e+00 -6.557001330e+00 -6.470795051e+00 2.98 -5.475574041e+00 -6.523160874e+00 -6.462595031e+00 3.00 -5.341439869e+00 -6.482412633e+00 -6.450229976e+00 3.02 -5.201208208e+00 -6.434982827e+00 -6.433748712e+00 3.04 -5.055431066e+00 -6.381116280e+00 -6.413208840e+00 3.06 -4.904825642e+00 -6.321065848e+00 -6.388672100e+00 3.08 -4.750275676e+00 -6.255082584e+00 -6.360201245e+00 3.10 -4.592814561e+00 -6.183811598e+00 -6.327857171e+00 3.12 -4.433588955e+00 -6.107956358e+00 -6.291695780e+00 3.14 -4.273804878e+00 -6.027398800e+00 -6.251764620e+00 3.16 -4.114661776e+00 -5.942050509e+00 -6.208099654e+00 3.18 -3.957282842e+00 -5.851872490e+00 -6.160735975e+00 3.20 -3.802651136e+00 -5.756883923e+00 -6.110146647e+00 3.22 -3.651560317e+00 -5.657172119e+00 -6.056398040e+00 3.24 -3.504586254e+00 -5.552903346e+00 -5.999276411e+00 3.26 -3.362082077e+00 -5.444345546e+00 -5.938583226e+00 3.28 -3.224195349e+00 -5.331860368e+00 -5.874134953e+00 3.30 -3.090902930e+00 -5.215883009e+00 -5.805764020e+00 3.32 -2.962057100e+00 -5.096909015e+00 -5.733320437e+00 3.34 -2.837435951e+00 -4.975474023e+00 -5.656673500e+00 3.36 -2.716791501e+00 -4.852127983e+00 -5.575713206e+00 3.38 -2.599890229e+00 -4.727406634e+00 -5.490356136e+00 3.40 -2.486542404e+00 -4.601803542e+00 -5.400550119e+00 3.42 -2.376618411e+00 -4.475745909e+00 -5.306261560e+00 3.44 -2.270052191e+00 -4.349576660e+00 -5.207472040e+00 3.46 -2.166833312e+00 -4.223544313e+00 -5.104175662e+00 3.48 -2.066990925e+00 -4.097800914e+00 -4.996376288e+00 3.50 -1.970573180e+00 -3.972407393e+00 -4.884085134e+00 3.52 -1.877626068e+00 -3.847345009e+00 -4.767319276e+00 3.54 -1.788175110e+00 -3.722531279e+00 -4.646101487e+00 3.56 -1.702212316e+00 -3.597838827e+00 -4.520462145e+00 3.58 -1.619689649e+00 -3.473115792e+00 -4.390443636e+00 3.60 -1.540519024e+00 -3.348206759e+00 -4.256107785e+00 3.62 -1.464577924e+00 -3.222973418e+00 -4.117546548e+00 3.64 -1.391719070e+00 -3.097314321e+00 -3.974895863e+00 3.66 -1.321782381e+00 -2.971183140e+00 -3.828352012e+00 3.68 -1.254607464e+00 -2.844604769e+00 -3.678189352e+00 3.70 -1.190045141e+00 -2.717688455e+00 -3.524777685e+00 3.72 -1.127966882e+00 -2.590637028e+00 -3.368597196e+00 3.74 -1.068271371e+00 -2.463751225e+00 -3.210248646e+00 3.76 -1.010887829e+00 -2.337428175e+00 -3.050456610e+00 3.78 -9.557760401e-01 -2.212153410e+00 -2.890063941e+00 3.80 -9.029233313e-01 -2.088486189e+00 -2.730016413e+00 3.82 -8.523390282e-01 -1.967038628e+00 -2.571337489e+00 3.84 -8.040470862e-01 -1.848449804e+00 -2.415094440e+00 3.86 -7.580777395e-01 -1.733356691e+00 -2.262358165e+00 3.88 -7.144590427e-01 -1.622364315e+00 -2.114160085e+00 3.90 -6.732091158e-01 -1.516017648e+00 -1.971449965e+00 3.92 -6.343297721e-01 -1.414777642e+00 -1.835058497e+00 3.94 -5.978019634e-01 -1.319003314e+00 -1.705667895e+00 3.96 -5.635832139e-01 -1.228940946e+00 -1.583792597e+00 3.98 -5.316070779e-01 -1.144720801e+00 -1.469771075e+00 4.00 -5.017843334e-01 -1.066360764e+00 -1.363768265e+00 4.02 -4.740054888e-01 -9.937758201e-01 -1.265787190e+00 4.04 -4.481440349e-01 -9.267918370e-01 -1.175687612e+00 4.06 -4.240611718e-01 -8.651620246e-01 -1.093209220e+00 4.08 -4.016093778e-01 -8.085845027e-01 -1.017996935e+00 4.10 -3.806362606e-01 -7.567196592e-01 -9.496262238e-01 4.12 -3.609881944e-01 -7.092063809e-01 -8.876267936e-01 4.14 -3.425134809e-01 -6.656762935e-01 -8.315035586e-01 4.16 -3.250650287e-01 -6.257659151e-01 -7.807542789e-01 4.18 -3.085026015e-01 -5.891263703e-01 -7.348836696e-01 4.20 -2.926947191e-01 -5.554307692e-01 -6.934140967e-01 4.22 -2.775203129e-01 -5.243793485e-01 -6.558931750e-01 4.24 -2.628702241e-01 -4.957025364e-01 -6.218987002e-01 4.26 -2.486486223e-01 -4.691621295e-01 -5.910413866e-01 4.28 -2.347743747e-01 -4.445507943e-01 -5.629658756e-01 4.30 -2.211823505e-01 -4.216901375e-01 -5.373504378e-01 4.32 -2.078245889e-01 -4.004276488e-01 -5.139057370e-01 4.34 -1.946712019e-01 -3.806328434e-01 -4.923729607e-01 4.36 -1.817108304e-01 -3.621929964e-01 -4.725215577e-01 4.38 -1.689504945e-01 -3.450088581e-01 -4.541467828e-01 4.40 -1.564145538e-01 -3.289907379e-01 -4.370671631e-01 4.42 -1.441427816e-01 -3.140551972e-01 -4.211220027e-01 4.44 -1.321874191e-01 -3.001224913e-01 -4.061689936e-01 4.46 -1.206093531e-01 -2.871147297e-01 -3.920819942e-01 4.48 -1.094736560e-01 -2.749555925e-01 -3.787489685e-01 4.50 -9.884485108e-02 -2.635696268e-01 -3.660700195e-01 4.52 -8.878233756e-02 -2.528823913e-01 -3.539557144e-01 4.54 -7.933642969e-02 -2.428209651e-01 -3.423261259e-01 4.56 -7.054531001e-02 -2.333145725e-01 -3.311089853e-01 4.58 -6.243317542e-02 -2.242951968e-01 -3.202386711e-01 4.60 -5.500961249e-02 -2.156981061e-01 -3.096553158e-01 4.62 -4.827010558e-02 -2.074622672e-01 -2.993041009e-01 4.64 -4.219746513e-02 -1.995306548e-01 -2.891347285e-01 4.66 -3.676386322e-02 -1.918502574e-01 -2.791010721e-01 4.68 -3.193319258e-02 -1.843728095e-01 -2.691610128e-01 4.70 -2.766351608e-02 -1.770546863e-01 -2.592764604e-01 4.72 -2.390902900e-02 -1.698569046e-01 -2.494135590e-01 4.74 -2.062242938e-02 -1.627453729e-01 -2.395430697e-01 4.76 -1.775749053e-02 -1.556911777e-01 -2.296409129e-01 4.78 -1.526920242e-02 -1.486709139e-01 -2.196888421e-01 4.80 -1.311478017e-02 -1.416670449e-01 -2.096752047e-01 4.82 -1.125435307e-02 -1.346682985e-01 -1.995957265e-01 4.84 -9.651358365e-03 -1.276699657e-01 -1.894542400e-01 4.86 -8.272704966e-03 -1.206741675e-01 -1.792632605e-01 4.88 -7.088767050e-03 -1.136899272e-01 -1.690443044e-01 4.90 -6.073258645e-03 -1.067330216e-01 -1.588278460e-01 4.92 -5.203030692e-03 -9.982554409e-02 -1.486528251e-01 4.94 -4.457822985e-03 -9.299514457e-02 -1.385656488e-01 4.96 -3.819995079e-03 -8.627393717e-02 -1.286186792e-01 4.98 -3.274253255e-03 -7.969710892e-02 -1.188682547e-01 5.00 -2.807385280e-03 -7.330130037e-02 -1.093723547e-01 5.02 -2.408010424e-03 -6.712286518e-02 -1.001880705e-01 5.04 -2.066348989e-03 -6.119613832e-02 -9.136907592e-02 5.06 -1.774013332e-03 -5.555184868e-02 -8.296330560e-02 5.08 -1.523820887e-03 -5.021579968e-02 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-5.103833508e-03 -7.633456640e-03 5.46 -9.544722258e-05 -4.442142476e-03 -6.643838906e-03 5.48 -8.303132965e-05 -3.865684495e-03 -5.781678121e-03 5.50 -7.227592726e-05 -3.363861941e-03 -5.031132095e-03 5.52 -6.295295629e-05 -2.927270960e-03 -4.378141597e-03 5.54 -5.486647850e-05 -2.547602030e-03 -3.810279373e-03 5.56 -4.784804584e-05 -2.217538722e-03 -3.316611381e-03 5.58 -4.175275161e-05 -1.930658381e-03 -2.887529821e-03 5.60 -3.645586082e-05 -1.681337222e-03 -2.514624450e-03 5.62 -3.184993334e-05 -1.464661432e-03 -2.190546446e-03 5.64 -2.784236670e-05 -1.276345143e-03 -1.908885883e-03 5.66 -2.435329610e-05 -1.112655674e-03 -1.664060016e-03 5.68 -2.131379825e-05 -9.703460362e-04 -1.451212406e-03 5.70 -1.866435455e-05 -8.465944793e-04 -1.266122557e-03 5.72 -1.635353528e-05 -7.389506980e-04 -1.105125489e-03 5.74 -1.433687232e-05 -6.452882095e-04 -9.650405385e-04 5.76 -1.257589260e-05 -5.637623849e-04 -8.431085989e-04 5.78 -1.103728920e-05 -4.927735977e-04 -7.369370149e-04 5.80 -9.692209775e-06 -4.309349634e-04 -6.444513360e-04 5.82 -8.515645407e-06 -3.770441692e-04 -5.638531857e-04 5.84 -7.485905370e-06 -3.300589278e-04 -4.935835493e-04 5.86 -6.584165502e-06 -2.890756247e-04 -4.322908371e-04 5.88 -5.794079543e-06 -2.533107709e-04 -3.788031424e-04 5.90 -5.101444480e-06 -2.220849102e-04 -3.321041710e-04 5.92 -4.493912238e-06 -1.948086697e-04 -2.913123755e-04 5.94 -3.960741148e-06 -1.709706769e-04 -2.556628818e-04 5.96 -3.492581511e-06 -1.501270985e-04 -2.244918408e-04 5.98 -3.081290528e-06 -1.318925887e-04 -1.972228891e-04 6.00 -2.719772469e-06 -1.159324581e-04 -1.733554339e-04