# 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 = Au3Ni # 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 3.468773047e+02 nan nan 1.16 3.192528074e+02 nan nan 1.18 2.938809166e+02 nan nan 1.20 2.705551067e+02 nan nan 1.22 2.490918141e+02 nan nan 1.24 2.293287387e+02 nan nan 1.26 2.111215304e+02 nan nan 1.28 1.943396524e+02 3.008390295e+02 3.448831030e+02 1.30 1.788631767e+02 2.787808131e+02 3.202259793e+02 1.32 1.645817411e+02 2.583513445e+02 2.973727604e+02 1.34 1.513951098e+02 2.394232270e+02 2.761754241e+02 1.36 1.392132906e+02 2.218792204e+02 2.565004770e+02 1.38 1.279550485e+02 2.056100579e+02 2.382280572e+02 1.40 1.175458449e+02 1.905142424e+02 2.212498811e+02 1.42 1.079166999e+02 1.764984517e+02 2.054669525e+02 1.44 9.900414131e+01 1.634778891e+02 1.907881195e+02 1.46 9.075037697e+01 1.513762530e+02 1.771296272e+02 1.48 8.310296196e+01 1.401249653e+02 1.644148919e+02 1.50 7.601394092e+01 1.296617631e+02 1.525739196e+02 1.52 6.943898585e+01 1.199291974e+02 1.415424362e+02 1.54 6.333698977e+01 1.108734853e+02 1.312610319e+02 1.56 5.767008957e+01 1.024438643e+02 1.216746281e+02 1.58 5.240381221e+01 9.459243825e+01 1.127323025e+02 1.60 4.752451417e+01 8.727441507e+01 1.043871506e+02 1.62 4.303607495e+01 8.044851877e+01 9.659598242e+01 1.64 3.890952478e+01 7.407727920e+01 8.931904569e+01 1.66 3.511771153e+01 6.812698289e+01 8.251995215e+01 1.68 3.163551337e+01 6.256729902e+01 7.616563641e+01 1.70 2.843926902e+01 5.737079177e+01 7.022604480e+01 1.72 2.550654841e+01 5.251254802e+01 6.467350118e+01 1.74 2.281624202e+01 4.797987454e+01 5.948201574e+01 1.76 2.034877427e+01 4.378267533e+01 5.462685881e+01 1.78 1.808621208e+01 3.990057935e+01 5.008508385e+01 1.80 1.601217901e+01 3.631161715e+01 4.586076697e+01 1.82 1.411164235e+01 3.299485974e+01 4.194428486e+01 1.84 1.237069355e+01 2.993029590e+01 3.831272920e+01 1.86 1.077641004e+01 2.709897325e+01 3.494524758e+01 1.88 9.316827093e+00 2.448321917e+01 3.182288155e+01 1.90 7.980984251e+00 2.206677675e+01 2.892831327e+01 1.92 6.758966621e+00 1.983479854e+01 2.624557287e+01 1.94 5.641872568e+00 1.777372847e+01 2.375980458e+01 1.96 4.621695180e+00 1.587113225e+01 2.145715465e+01 1.98 3.691157485e+00 1.411552912e+01 1.932475686e+01 2.00 2.843558419e+00 1.249625562e+01 1.735073321e+01 2.02 2.072668412e+00 1.100337045e+01 1.552414105e+01 2.04 1.372678299e+00 9.627596997e+00 1.383485659e+01 2.06 7.381780224e-01 8.360293496e+00 1.227343647e+01 2.08 1.641375479e-01 7.193437314e+00 1.083100981e+01 2.10 -3.541241616e-01 6.119610079e+00 9.499226261e+00 2.12 -8.209804737e-01 5.131974493e+00 8.270250066e+00 2.14 -1.240538226e+00 4.224239595e+00 7.136771040e+00 2.16 -1.616667123e+00 3.390616024e+00 6.092005426e+00 2.18 -1.953010715e+00 2.625766253e+00 5.129672895e+00 2.20 -2.252980429e+00 1.924756470e+00 4.243950375e+00 2.22 -2.519741342e+00 1.283015787e+00 3.429413943e+00 2.24 -2.756200049e+00 6.963048261e-01 2.680984906e+00 2.26 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2.62 -3.871806740e+00 -3.909323637e+00 -3.689640112e+00 2.64 -3.828501441e+00 -3.951191136e+00 -3.777897444e+00 2.66 -3.779899476e+00 -3.983114002e+00 -3.852685270e+00 2.68 -3.726664157e+00 -4.006145861e+00 -3.915036784e+00 2.70 -3.669458232e+00 -4.021266817e+00 -3.965889311e+00 2.72 -3.608920828e+00 -4.029100736e+00 -4.006094489e+00 2.74 -3.545645962e+00 -4.030000578e+00 -4.036432003e+00 2.76 -3.480167193e+00 -4.024259430e+00 -4.057689286e+00 2.78 -3.412950498e+00 -4.012200532e+00 -4.070741030e+00 2.80 -3.344394634e+00 -3.994165988e+00 -4.076026162e+00 2.82 -3.274836575e+00 -3.970505012e+00 -4.073911897e+00 2.84 -3.204559568e+00 -3.941560103e+00 -4.064737687e+00 2.86 -3.133802025e+00 -3.907651658e+00 -4.048919051e+00 2.88 -3.062766233e+00 -3.869085984e+00 -4.026940897e+00 2.90 -2.991626193e+00 -3.826165701e+00 -3.999335834e+00 2.92 -2.920534184e+00 -3.779193650e+00 -3.966654740e+00 2.94 -2.849625738e+00 -3.728476310e+00 -3.929421549e+00 2.96 -2.779022993e+00 -3.674327980e+00 -3.888125084e+00 2.98 -2.708836630e+00 -3.617074973e+00 -3.843212240e+00 3.00 -2.639166731e+00 -3.557058784e+00 -3.795079367e+00 3.02 -2.570102971e+00 -3.494636995e+00 -3.744072379e+00 3.04 -2.501724551e+00 -3.430180672e+00 -3.690493207e+00 3.06 -2.434100203e+00 -3.364067620e+00 -3.634609515e+00 3.08 -2.367288499e+00 -3.296671849e+00 -3.576665001e+00 3.10 -2.301338621e+00 -3.228350877e+00 -3.516888401e+00 3.12 -2.236291625e+00 -3.159433305e+00 -3.455500199e+00 3.14 -2.172182120e+00 -3.090209174e+00 -3.392716628e+00 3.16 -2.109040208e+00 -3.020924777e+00 -3.328750980e+00 3.18 -2.046893452e+00 -2.951782329e+00 -3.263812578e+00 3.20 -1.985768594e+00 -2.882943666e+00 -3.198104014e+00 3.22 -1.925692811e+00 -2.814536449e+00 -3.131817536e+00 3.24 -1.866694338e+00 -2.746661272e+00 -3.065131512e+00 3.26 -1.808802434e+00 -2.679398430e+00 -2.998207796e+00 3.28 -1.752046750e+00 -2.612813605e+00 -2.931190491e+00 3.30 -1.696456284e+00 -2.546962218e+00 -2.864206194e+00 3.32 -1.642058119e+00 -2.481892506e+00 -2.797365517e+00 3.34 -1.588876181e+00 -2.417647524e+00 -2.730765492e+00 3.36 -1.536930163e+00 -2.354266341e+00 -2.664492469e+00 3.38 -1.486234738e+00 -2.291784647e+00 -2.598625190e+00 3.40 -1.436799093e+00 -2.230234978e+00 -2.533237817e+00 3.42 -1.388626785e+00 -2.169646690e+00 -2.468402703e+00 3.44 -1.341715840e+00 -2.110045799e+00 -2.404192744e+00 3.46 -1.296059040e+00 -2.051454786e+00 -2.340683063e+00 3.48 -1.251644316e+00 -1.993892431e+00 -2.277951768e+00 3.50 -1.208455167e+00 -1.937373726e+00 -2.216079586e+00 3.52 -1.166471061e+00 -1.881909891e+00 -2.155148290e+00 3.54 -1.125667770e+00 -1.827508511e+00 -2.095238005e+00 3.56 -1.086017630e+00 -1.774173747e+00 -2.036423826e+00 3.58 -1.047489723e+00 -1.721906621e+00 -1.978772265e+00 3.60 -1.010049990e+00 -1.670705313e+00 -1.922338162e+00 3.62 -9.736613047e-01 -1.620565465e+00 -1.867162574e+00 3.64 -9.382835261e-01 -1.571480471e+00 -1.813271927e+00 3.66 -9.038735738e-01 -1.523441774e+00 -1.760678419e+00 3.68 -8.703855543e-01 -1.476439207e+00 -1.709381445e+00 3.70 -8.377709784e-01 -1.430461400e+00 -1.659369668e+00 3.72 -8.059791131e-01 -1.385496306e+00 -1.610623351e+00 3.74 -7.749575113e-01 -1.341531842e+00 -1.563116643e+00 3.76 -7.446527690e-01 -1.298556621e+00 -1.516819614e+00 3.78 -7.150115585e-01 -1.256560703e+00 -1.471699951e+00 3.80 -6.859819777e-01 -1.215536257e+00 -1.427724304e+00 3.82 -6.575152446e-01 -1.175477981e+00 -1.384859315e+00 3.84 -6.295677314e-01 -1.136383144e+00 -1.343072381e+00 3.86 -6.021032930e-01 -1.098251144e+00 -1.302332201e+00 3.88 -5.750957751e-01 -1.061082552e+00 -1.262609142e+00 3.90 -5.485315157e-01 -1.024877727e+00 -1.223875439e+00 3.92 -5.224115673e-01 -9.896351751e-01 -1.186105259e+00 3.94 -4.967533109e-01 -9.553499105e-01 -1.149274635e+00 3.96 -4.715910852e-01 -9.220120769e-01 -1.113361266e+00 3.98 -4.469755208e-01 -8.896060600e-01 -1.078344241e+00 4.00 -4.229713542e-01 -8.581101984e-01 -1.044203682e+00 4.02 -3.996537052e-01 -8.274971075e-01 -1.010920345e+00 4.04 -3.771030351e-01 -7.977345281e-01 -9.784752196e-01 4.06 -3.553992405e-01 -7.687865584e-01 -9.468491353e-01 4.08 -3.346155180e-01 -7.406151140e-01 -9.160224280e-01 4.10 -3.148127030e-01 -7.131814745e-01 -8.859746656e-01 4.12 -2.960347317e-01 -6.864478309e-01 -8.566844589e-01 4.14 -2.783057014e-01 -6.603787215e-01 -8.281293662e-01 4.16 -2.616287592e-01 -6.349423655e-01 -8.002859003e-01 4.18 -2.459867881e-01 -6.101118091e-01 -7.731296432e-01 4.20 -2.313446283e-01 -5.858658598e-01 -7.466354732e-01 4.22 -2.176524360e-01 -5.621897518e-01 -7.207779075e-01 4.24 -2.048496750e-01 -5.390754827e-01 -6.955315615e-01 4.26 -1.928693223e-01 -5.165217690e-01 -6.708717215e-01 4.28 -1.816418739e-01 -4.945335856e-01 -6.467750195e-01 4.30 -1.710988833e-01 -4.731212957e-01 -6.232201877e-01 4.32 -1.611758561e-01 -4.522994227e-01 -6.001888535e-01 4.34 -1.518144181e-01 -4.320851690e-01 -5.776663175e-01 4.36 -1.429637395e-01 -4.124968171e-01 -5.556422359e-01 4.38 -1.345812473e-01 -3.935521622e-01 -5.341111130e-01 4.40 -1.266326786e-01 -3.752671025e-01 -5.130725007e-01 4.42 -1.190915633e-01 -3.576544710e-01 -4.925308117e-01 4.44 -1.119382299e-01 -3.407231355e-01 -4.724946785e-01 4.46 -1.051584578e-01 -3.244773467e-01 -4.529758425e-01 4.48 -9.874191519e-02 -3.089162878e-01 -4.339876212e-01 4.50 -9.268053338e-02 -2.940337779e-01 -4.155430733e-01 4.52 -8.696696784e-02 -2.798181042e-01 -3.976530414e-01 4.54 -8.159327890e-02 -2.662519883e-01 -3.803243055e-01 4.56 -7.654993048e-02 -2.533127140e-01 -3.635580170e-01 4.58 -7.182516038e-02 -2.409724534e-01 -3.473486522e-01 4.60 -6.740472648e-02 -2.291988131e-01 -3.316835422e-01 4.62 -6.327199040e-02 -2.179556013e-01 -3.165430235e-01 4.64 -5.940826842e-02 -2.072037840e-01 -3.019011543e-01 4.66 -5.579336486e-02 -1.969025790e-01 -2.877268874e-01 4.68 -5.240620522e-02 -1.870106210e-01 -2.739855631e-01 4.70 -4.922549181e-02 -1.774871349e-01 -2.606405803e-01 4.72 -4.623012808e-02 -1.682930628e-01 -2.476551246e-01 4.74 -4.340019387e-02 -1.593921052e-01 -2.349938557e-01 4.76 -4.071734147e-02 -1.507516497e-01 -2.226244842e-01 4.78 -3.816490961e-02 -1.423435748e-01 -2.105191923e-01 4.80 -3.572823938e-02 -1.341449130e-01 -1.986558623e-01 4.82 -3.339488387e-02 -1.261383725e-01 -1.870190817e-01 4.84 -3.115472278e-02 -1.183126772e-01 -1.756008920e-01 4.86 -2.899999038e-02 -1.106627325e-01 -1.644012391e-01 4.88 -2.692522235e-02 -1.031895668e-01 -1.534280834e-01 4.90 -2.492712451e-02 -9.590003023e-02 -1.426971246e-01 4.92 -2.300436648e-02 -8.880623018e-02 -1.322311135e-01 4.94 -2.115730325e-02 -8.192469946e-02 -1.220587436e-01 4.96 -1.938741202e-02 -7.527531493e-02 -1.122131489e-01 4.98 -1.769729651e-02 -6.888001244e-02 -1.027300790e-01 5.00 -1.609029919e-02 -6.276136922e-02 -9.364585867e-02 5.02 -1.456987671e-02 -5.694115150e-02 -8.499527712e-02 5.04 -1.313920653e-02 -5.143893136e-02 -7.680956714e-02 5.06 -1.180084477e-02 -4.627087818e-02 -6.911463372e-02 5.08 -1.055645704e-02 -4.144881341e-02 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-3.560946037e-03 -5.331586932e-03 5.46 -7.754026936e-04 -3.069189318e-03 -4.595320702e-03 5.48 -6.681795731e-04 -2.644859198e-03 -3.959997654e-03 5.50 -5.757368402e-04 -2.278992346e-03 -3.412203015e-03 5.52 -4.960841627e-04 -1.963725323e-03 -2.940166488e-03 5.54 -4.274827810e-04 -1.692185785e-03 -2.533599528e-03 5.56 -3.684185025e-04 -1.458386989e-03 -2.183541001e-03 5.58 -3.175762390e-04 -1.257128006e-03 -1.882203394e-03 5.60 -2.738164244e-04 -1.083901070e-03 -1.622837605e-03 5.62 -2.361534800e-04 -9.348068468e-04 -1.399605341e-03 5.64 -2.037363725e-04 -8.064778192e-04 -1.207464499e-03 5.66 -1.758312229e-04 -6.960096996e-04 -1.042066515e-03 5.68 -1.518058675e-04 -6.009004889e-04 -8.996651432e-04 5.70 -1.311162395e-04 -5.189966884e-04 -7.770359397e-04 5.72 -1.132944173e-04 -4.484460762e-04 -6.714055604e-04 5.74 -9.793818366e-05 -3.876564322e-04 -5.803899657e-04 5.76 -8.470193618e-05 -3.352595985e-04 -5.019406081e-04 5.78 -7.328879989e-05 -2.900802804e-04 -4.342977200e-04 5.80 -6.344379954e-05 -2.511090369e-04 -3.759498705e-04 5.82 -5.494796228e-05 -2.174789456e-04 -3.255990260e-04 5.84 -4.761323271e-05 -1.884454801e-04 -2.821304192e-04 5.86 -4.127809499e-05 -1.633691832e-04 -2.445866048e-04 5.88 -3.580380801e-05 -1.417007644e-04 -2.121451461e-04 5.90 -3.107117096e-05 -1.229682968e-04 -1.840994433e-04 5.92 -2.697774672e-05 -1.067662251e-04 -1.598422753e-04 5.94 -2.343547961e-05 -9.274593395e-05 -1.388516773e-04 5.96 -2.036865247e-05 -8.060766008e-05 -1.206788302e-04 5.98 -1.771213524e-05 -7.009355784e-05 -1.049376775e-04 6.00 -1.540988381e-05 -6.098175552e-05 -9.129602604e-05