# 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 = AuMo3 # 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 3.934570661e+02 nan nan 1.16 3.621324849e+02 nan nan 1.18 3.333740245e+02 nan nan 1.20 3.069323687e+02 nan nan 1.22 2.825844592e+02 nan nan 1.24 2.601342243e+02 nan nan 1.26 2.394133287e+02 nan nan 1.28 2.202797049e+02 3.409694526e+02 3.908845400e+02 1.30 2.026128168e+02 3.159324113e+02 3.627691775e+02 1.32 1.863067492e+02 2.927484614e+02 3.367152741e+02 1.34 1.712635614e+02 2.712674368e+02 3.125616081e+02 1.36 1.573890333e+02 2.513546037e+02 2.901616268e+02 1.38 1.445913754e+02 2.328876401e+02 2.693801075e+02 1.40 1.327820447e+02 2.157539893e+02 2.500909278e+02 1.42 1.218773787e+02 1.998490953e+02 2.321764158e+02 1.44 1.118001189e+02 1.850757251e+02 2.155278586e+02 1.46 1.024804302e+02 1.713441126e+02 2.000461510e+02 1.48 9.385632198e+01 1.585724503e+02 1.856418454e+02 1.50 8.587339393e+01 1.466872928e+02 1.722345325e+02 1.52 7.848385431e+01 1.356235040e+02 1.597518164e+02 1.54 7.164502551e+01 1.253235596e+02 1.481280958e+02 1.56 6.531790140e+01 1.157362814e+02 1.373032848e+02 1.58 5.946628836e+01 1.068152849e+02 1.272216312e+02 1.60 5.405656052e+01 9.851746624e+01 1.178308065e+02 1.62 4.905761822e+01 9.080178348e+01 1.090813859e+02 1.64 4.444066117e+01 8.362849478e+01 1.009267154e+02 1.66 4.017870346e+01 7.695892661e+01 9.332305722e+01 1.68 3.624717372e+01 7.075573151e+01 8.622984309e+01 1.70 3.263695135e+01 6.498345592e+01 7.960989144e+01 1.72 2.932972040e+01 5.960915455e+01 7.342949186e+01 1.74 2.630053029e+01 5.460282057e+01 6.765830167e+01 1.76 2.352566928e+01 4.993752175e+01 6.226903067e+01 1.78 2.098276781e+01 4.558925273e+01 5.723693367e+01 1.80 1.865083807e+01 4.153658901e+01 5.253919134e+01 1.82 1.651028855e+01 3.776027284e+01 4.815431627e+01 1.84 1.454299925e+01 3.425462541e+01 4.406172502e+01 1.86 1.273249713e+01 3.101457405e+01 4.024155255e+01 1.88 1.106417394e+01 2.802168062e+01 3.667538780e+01 1.90 9.525419623e+00 2.525862945e+01 3.335289152e+01 1.92 8.105560079e+00 2.270919292e+01 3.026863097e+01 1.94 6.795583895e+00 2.035811941e+01 2.740778479e+01 1.96 5.587745280e+00 1.819103805e+01 2.475477256e+01 1.98 4.475169530e+00 1.619439396e+01 2.229503957e+01 2.00 3.451551938e+00 1.435540148e+01 2.001489239e+01 2.02 2.510976428e+00 1.266199351e+01 1.790140249e+01 2.04 1.647831270e+00 1.110275654e+01 1.594240427e+01 2.06 8.567818467e-01 9.666861076e+00 1.412656332e+01 2.08 1.327659035e-01 8.344014000e+00 1.244346230e+01 2.10 -5.290092956e-01 7.124460588e+00 1.088365360e+01 2.12 -1.133075415e+00 5.999046231e+00 9.438649272e+00 2.14 -1.683715562e+00 4.959320891e+00 8.100844305e+00 2.16 -2.184974620e+00 3.997647819e+00 6.863389638e+00 2.18 -2.640660841e+00 3.107274467e+00 5.720041653e+00 2.20 -3.054336354e+00 2.282338613e+00 4.665016569e+00 2.22 -3.429301103e+00 1.517806826e+00 3.692872220e+00 2.24 -3.768579432e+00 8.093628094e-01 2.798428945e+00 2.26 -4.074917212e+00 1.532723584e-01 1.976728453e+00 2.28 -4.350790928e+00 -4.537502254e-01 1.223018569e+00 2.30 -4.598423967e+00 -1.014657450e+00 5.327472442e-01 2.32 -4.819803601e+00 -1.532158087e+00 -9.844716284e-02 2.34 -5.016694536e+00 -2.008780321e+00 -6.747536548e-01 2.36 -5.190648717e+00 -2.446912374e+00 -1.200210311e+00 2.38 -5.343013702e+00 -2.848825953e+00 -1.678721633e+00 2.40 -5.474942741e+00 -3.216687744e+00 -2.114063564e+00 2.42 -5.587083747e+00 -3.552563231e+00 -2.509871786e+00 2.44 -5.680258458e+00 -3.858415966e+00 -2.869613900e+00 2.46 -5.755614638e+00 -4.136104426e+00 -3.196551022e+00 2.48 -5.814138636e+00 -4.387377958e+00 -3.493697674e+00 2.50 -5.856703488e+00 -4.613873014e+00 -3.763789479e+00 2.52 -5.884113622e+00 -4.817110962e+00 -4.009265890e+00 2.54 -5.897142703e+00 -4.998498680e+00 -4.232271021e+00 2.56 -5.896511633e+00 -5.159332647e+00 -4.434671294e+00 2.58 -5.882279333e+00 -5.300806142e+00 -4.618085510e+00 2.60 -5.854137807e+00 -5.424018094e+00 -4.783921634e+00 2.62 -5.811930638e+00 -5.529831622e+00 -4.933414874e+00 2.64 -5.755649656e+00 -5.618948968e+00 -5.067662871e+00 2.66 -5.685498968e+00 -5.692579209e+00 -5.187655398e+00 2.68 -5.601758126e+00 -5.751862060e+00 -5.294218876e+00 2.70 -5.504793888e+00 -5.797836411e+00 -5.387877296e+00 2.72 -5.395193136e+00 -5.831460400e+00 -5.469690625e+00 2.74 -5.273787862e+00 -5.853629836e+00 -5.540696752e+00 2.76 -5.141670383e+00 -5.865193073e+00 -5.601831503e+00 2.78 -5.000188355e+00 -5.866847685e+00 -5.653941401e+00 2.80 -4.850908000e+00 -5.858808261e+00 -5.697792137e+00 2.82 -4.695541376e+00 -5.841095711e+00 -5.734073225e+00 2.84 -4.535870570e+00 -5.813752562e+00 -5.763398984e+00 2.86 -4.373649674e+00 -5.776904503e+00 -5.786196066e+00 2.88 -4.210504573e+00 -5.730805330e+00 -5.802389967e+00 2.90 -4.047849090e+00 -5.675779482e+00 -5.811809108e+00 2.92 -3.886829244e+00 -5.612062699e+00 -5.814291679e+00 2.94 -3.728301745e+00 -5.539987112e+00 -5.809666400e+00 2.96 -3.572846436e+00 -5.459982559e+00 -5.797739893e+00 2.98 -3.420806733e+00 -5.372564540e+00 -5.778351079e+00 3.00 -3.272348224e+00 -5.278314078e+00 -5.751247271e+00 3.02 -3.127524016e+00 -5.177840244e+00 -5.716096923e+00 3.04 -2.986335968e+00 -5.071749400e+00 -5.672575935e+00 3.06 -2.848783304e+00 -4.960626832e+00 -5.620379994e+00 3.08 -2.714893493e+00 -4.845007365e+00 -5.559236809e+00 3.10 -2.584734050e+00 -4.725351545e+00 -5.488916625e+00 3.12 -2.458407431e+00 -4.602031026e+00 -5.409240160e+00 3.14 -2.336033866e+00 -4.475324438e+00 -5.320079275e+00 3.16 -2.217728326e+00 -4.345423475e+00 -5.221355437e+00 3.18 -2.103577864e+00 -4.212447788e+00 -5.113050481e+00 3.20 -1.993624311e+00 -4.076466553e+00 -4.995210351e+00 3.22 -1.887855347e+00 -3.937524400e+00 -4.867949683e+00 3.24 -1.786204786e+00 -3.795669639e+00 -4.731459846e+00 3.26 -1.688561050e+00 -3.650983012e+00 -4.586021242e+00 3.28 -1.594781525e+00 -3.503605491e+00 -4.432019824e+00 3.30 -1.504709951e+00 -3.353763679e+00 -4.269966825e+00 3.32 -1.418194005e+00 -3.201791258e+00 -4.100519615e+00 3.34 -1.335100673e+00 -3.048144723e+00 -3.924500653e+00 3.36 -1.255327645e+00 -2.893411501e+00 -3.742910829e+00 3.38 -1.178809718e+00 -2.738308711e+00 -3.556933272e+00 3.40 -1.105519879e+00 -2.583671277e+00 -3.367924191e+00 3.42 -1.035465389e+00 -2.430429037e+00 -3.177388483e+00 3.44 -9.686797520e-01 -2.279573727e+00 -2.986939675e+00 3.46 -9.052118056e-01 -2.132118076e+00 -2.798246028e+00 3.48 -8.451134540e-01 -1.989050508e+00 -2.612966832e+00 3.50 -7.884275532e-01 -1.851289711e+00 -2.432684691e+00 3.52 -7.351773048e-01 -1.719643523e+00 -2.258840473e+00 3.54 -6.853581819e-01 -1.594776000e+00 -2.092677348e+00 3.56 -6.389329733e-01 -1.477185399e+00 -1.935199124e+00 3.58 -5.958300682e-01 -1.367194285e+00 -1.787146006e+00 3.60 -5.559447054e-01 -1.264951436e+00 -1.648988591e+00 3.62 -5.191426082e-01 -1.170443909e+00 -1.520938652e+00 3.64 -4.852652753e-01 -1.083516772e+00 -1.402973590e+00 3.66 -4.541361663e-01 -1.003897660e+00 -1.294870429e+00 3.68 -4.255669806e-01 -9.312233716e-01 -1.196244986e+00 3.70 -3.993637849e-01 -8.650661713e-01 -1.106592246e+00 3.72 -3.753328207e-01 -8.049580214e-01 -1.025324777e+00 3.74 -3.532843926e-01 -7.504116235e-01 -9.518069544e-01 3.76 -3.330363452e-01 -7.009377112e-01 -8.853837900e-01 3.78 -3.144165659e-01 -6.560584964e-01 -8.254038963e-01 3.80 -2.972645906e-01 -6.153175006e-01 -7.712367809e-01 3.82 -2.814324540e-01 -5.782861990e-01 -7.222850199e-01 3.84 -2.667849362e-01 -5.445680023e-01 -6.779920805e-01 3.86 -2.531993503e-01 -5.138001175e-01 -6.378466233e-01 3.88 -2.405650008e-01 -4.856537985e-01 -6.013840883e-01 3.90 -2.287824215e-01 -4.598334348e-01 -5.681862798e-01 3.92 -2.177624828e-01 -4.360748543e-01 -5.378795584e-01 3.94 -2.074254378e-01 -4.141431433e-01 -5.101321292e-01 3.96 -1.976999549e-01 -3.938302124e-01 -4.846508009e-01 3.98 -1.885221797e-01 -3.749522889e-01 -4.611775078e-01 4.00 -1.798348481e-01 -3.573474534e-01 -4.394857893e-01 4.02 -1.715864684e-01 -3.408733128e-01 -4.193773702e-01 4.04 -1.637305842e-01 -3.254048605e-01 -4.006789289e-01 4.06 -1.562251236e-01 -3.108324628e-01 -3.832391050e-01 4.08 -1.490318406e-01 -2.970602104e-01 -3.669257750e-01 4.10 -1.421158498e-01 -2.840048707e-01 -3.516235983e-01 4.12 -1.354452582e-01 -2.715942269e-01 -3.372316474e-01 4.14 -1.289908961e-01 -2.597660679e-01 -3.236618269e-01 4.16 -1.227261497e-01 -2.484673646e-01 -3.108371814e-01 4.18 -1.166268968e-01 -2.376535499e-01 -2.986901179e-01 4.20 -1.106715472e-01 -2.272878657e-01 -2.871611525e-01 4.22 -1.048411845e-01 -2.173407223e-01 -2.761978062e-01 4.24 -9.911980199e-02 -2.077890164e-01 -2.657536383e-01 4.26 -9.349461786e-02 -1.986153620e-01 -2.557874047e-01 4.28 -8.795644546e-02 -1.898072007e-01 -2.462623262e-01 4.30 -8.250008045e-02 -1.813557862e-01 -2.371454553e-01 4.32 -7.712465563e-02 -1.732550664e-01 -2.284071268e-01 4.34 -7.183389947e-02 -1.655005195e-01 -2.200204839e-01 4.36 -6.663623945e-02 -1.580880114e-01 -2.119610676e-01 4.38 -6.154466855e-02 -1.510127705e-01 -2.042064617e-01 4.40 -5.657631857e-02 -1.442685528e-01 -1.967359870e-01 4.42 -5.175172374e-02 -1.378470682e-01 -1.895304360e-01 4.44 -4.709377282e-02 -1.317376885e-01 -1.825718456e-01 4.46 -4.262638827e-02 -1.259274180e-01 -1.758433021e-01 4.48 -3.837306587e-02 -1.204009855e-01 -1.693287753e-01 4.50 -3.435538550e-02 -1.151412619e-01 -1.630129797e-01 4.52 -3.059163542e-02 -1.101301426e-01 -1.568812606e-01 4.54 -2.709569643e-02 -1.053486029e-01 -1.509195107e-01 4.56 -2.387602836e-02 -1.007771979e-01 -1.451140992e-01 4.58 -2.093543697e-02 -9.639652773e-02 -1.394518404e-01 4.60 -1.827215134e-02 -9.218762697e-02 -1.339199824e-01 4.62 -1.587929230e-02 -8.813227486e-02 -1.285062276e-01 4.64 -1.374558215e-02 -8.421323482e-02 -1.231987846e-01 4.66 -1.185627151e-02 -8.041443745e-02 -1.179864554e-01 4.68 -1.019412428e-02 -7.672112336e-02 -1.128587585e-01 4.70 -8.740370121e-03 -7.311996202e-02 -1.078060907e-01 4.72 -7.475558502e-03 -6.959916028e-02 -1.028199261e-01 4.74 -6.380274523e-03 -6.614857034e-02 -9.789304938e-02 4.76 -5.435700486e-03 -6.275980250e-02 -9.301981823e-02 4.78 -4.624025146e-03 -5.942634251e-02 -8.819644192e-02 4.80 -3.928714966e-03 -5.614366765e-02 -8.342126213e-02 4.82 -3.334668524e-03 -5.290935386e-02 -7.869501333e-02 4.84 -2.828277586e-03 -4.972314946e-02 -7.402103523e-02 4.86 -2.397417800e-03 -4.658701092e-02 -6.940541170e-02 4.88 -2.031389585e-03 -4.350506922e-02 -6.485700120e-02 4.90 -1.720826404e-03 -4.048350801e-02 -6.038732494e-02 4.92 -1.457584081e-03 -3.753034368e-02 -5.601029896e-02 4.94 -1.234621564e-03 -3.465509877e-02 -5.174179811e-02 4.96 -1.045880601e-03 -3.186837457e-02 -4.759906141e-02 4.98 -8.861694075e-04 -2.918133014e-02 -4.359995034e-02 5.00 -7.510535630e-04 -2.660511583e-02 -3.976213282e-02 5.02 -6.367559955e-04 -2.415028979e-02 -3.610223687e-02 5.04 -5.400668478e-04 -2.182625988e-02 -3.263503766e-02 5.06 -4.582633393e-04 -1.964079808e-02 -2.937274969e-02 5.08 -3.890392933e-04 -1.759966493e-02 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-1.515593870e-03 -2.269049473e-03 5.46 -1.945232686e-05 -1.306421998e-03 -1.955904304e-03 5.48 -1.672256827e-05 -1.125909135e-03 -1.685659225e-03 5.50 -1.438505617e-05 -9.702494938e-04 -1.452618600e-03 5.52 -1.238213522e-05 -8.361034952e-04 -1.251784143e-03 5.54 -1.066480857e-05 -7.205518231e-04 -1.078786043e-03 5.56 -9.191411321e-06 -6.210508301e-04 -9.298173743e-04 5.58 -7.926491017e-06 -5.353903202e-04 -8.015693649e-04 5.60 -6.839862180e-06 -4.616543299e-04 -6.911738716e-04 5.62 -5.905807396e-06 -3.981852309e-04 -5.961493954e-04 5.64 -5.102401994e-06 -3.435512614e-04 -5.143525088e-04 5.66 -4.410942808e-06 -2.965174406e-04 -4.439343360e-04 5.68 -3.815464638e-06 -2.560197171e-04 -3.833018696e-04 5.70 -3.302330770e-06 -2.211421429e-04 -3.310838093e-04 5.72 -2.859886014e-06 -1.910968264e-04 -2.861005588e-04 5.74 -2.478162481e-06 -1.652064060e-04 -2.473379921e-04 5.76 -2.148629951e-06 -1.428887847e-04 -2.139246042e-04 5.78 -1.863983957e-06 -1.236438766e-04 -1.851116704e-04 5.80 -1.617965768e-06 -1.070421295e-04 -1.602560660e-04 5.82 -1.405209359e-06 -9.271460789e-05 -1.388054190e-04 5.84 -1.221111250e-06 -8.034443946e-05 -1.202853061e-04 5.86 -1.061719739e-06 -6.965944907e-05 -1.042882241e-04 5.88 -9.236405653e-07 -6.042582274e-05 -9.046410427e-05 5.90 -8.039565165e-07 -5.244266317e-05 -7.851216127e-05 5.92 -7.001588833e-07 -4.553731512e-05 -6.817389413e-05 5.94 -6.100889800e-07 -3.956135407e-05 -5.922708068e-05 5.96 -5.318882110e-07 -3.438714577e-05 -5.148062645e-05 5.98 -4.639554181e-07 -2.990489650e-05 -4.477014815e-05 6.00 -4.049104253e-07 -2.602012434e-05 -3.895418778e-05