# 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 = W3Zr # 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 5.398363401e+02 nan nan 1.16 4.954676909e+02 nan nan 1.18 4.548468294e+02 nan nan 1.20 4.176181510e+02 nan nan 1.22 3.834627224e+02 nan nan 1.24 3.520926868e+02 nan nan 1.26 3.232482453e+02 nan nan 1.28 2.966979953e+02 4.651709747e+02 5.359760708e+02 1.30 2.722404241e+02 4.299911923e+02 4.963587037e+02 1.32 2.497032673e+02 3.975341452e+02 4.597156646e+02 1.34 2.289390885e+02 3.675630145e+02 4.257884211e+02 1.36 2.098184004e+02 3.398562837e+02 3.943502798e+02 1.38 1.922228438e+02 3.142096358e+02 3.652052320e+02 1.40 1.760403258e+02 2.904392981e+02 3.381819511e+02 1.42 1.611625823e+02 2.683838308e+02 3.131262955e+02 1.44 1.474847556e+02 2.479032580e+02 2.898956755e+02 1.46 1.349061096e+02 2.288763204e+02 2.683564480e+02 1.48 1.233314752e+02 2.111970749e+02 2.483832698e+02 1.50 1.126727288e+02 1.947716190e+02 2.298590216e+02 1.52 1.028496087e+02 1.795155586e+02 2.126742117e+02 1.54 9.379004248e+01 1.653524107e+02 1.967259905e+02 1.56 8.543028192e+01 1.522127001e+02 1.819178137e+02 1.58 7.771480539e+01 1.400331555e+02 1.681599962e+02 1.60 7.059575728e+01 1.287554342e+02 1.553705952e+02 1.62 6.403169718e+01 1.183243809e+02 1.434758273e+02 1.64 5.798608744e+01 1.086863554e+02 1.324096553e+02 1.66 5.242573291e+01 9.978817639e+01 1.221128905e+02 1.68 4.731939069e+01 9.157687390e+01 1.125322004e+02 1.70 4.263663290e+01 8.400016338e+01 1.036191208e+02 1.72 3.834714320e+01 7.700716567e+01 9.532923382e+01 1.74 3.442057878e+01 7.054911544e+01 8.762155211e+01 1.76 3.082688175e+01 6.457989420e+01 8.045822830e+01 1.78 2.753681515e+01 5.905645071e+01 7.380440544e+01 1.80 2.452243440e+01 5.393914251e+01 6.762805801e+01 1.82 2.175731608e+01 4.919209032e+01 6.189954727e+01 1.84 1.921670816e+01 4.478343470e+01 5.659101501e+01 1.86 1.687891311e+01 4.068553951e+01 5.167570997e+01 1.88 1.472489296e+01 3.687493443e+01 4.712754816e+01 1.90 1.273640852e+01 3.333190617e+01 4.292092014e+01 1.92 1.089749875e+01 3.003973438e+01 3.903063806e+01 1.94 9.194864865e+00 2.698376755e+01 3.543203635e+01 1.96 7.617614729e+00 2.415054016e+01 3.210110132e+01 1.98 6.156806557e+00 2.152715312e+01 2.901469781e+01 2.00 4.804908209e+00 1.910091797e+01 2.615088614e+01 2.02 3.555306881e+00 1.685944162e+01 2.348931654e+01 2.04 2.401935413e+00 1.479195336e+01 2.101164595e+01 2.06 1.339057188e+00 1.288617176e+01 1.870183512e+01 2.08 3.611376712e-01 1.112944900e+01 1.654675617e+01 2.10 -5.371898339e-01 9.509324259e+00 1.453687525e+01 2.12 -1.361113414e+00 8.013740158e+00 1.266280670e+01 2.14 -2.115613991e+00 6.631318432e+00 1.091651121e+01 2.16 -2.805439583e+00 5.351650088e+00 9.291112965e+00 2.18 -3.435106803e+00 4.165502542e+00 7.780546098e+00 2.20 -4.008885543e+00 3.064902294e+00 6.379226608e+00 2.22 -4.530816602e+00 2.043069669e+00 5.081845027e+00 2.24 -5.004710215e+00 1.094262660e+00 3.883180441e+00 2.26 -5.434144098e+00 2.135814459e-01 2.778024582e+00 2.28 -5.822463119e+00 -6.032361167e-01 1.761151099e+00 2.30 -6.172777568e+00 -1.359961918e+00 8.273298145e-01 2.32 -6.487970442e+00 -2.060039542e+00 -2.866521959e-02 2.34 -6.770696783e+00 -2.706660628e+00 -8.120445357e-01 2.36 -7.023385763e+00 -3.302856017e+00 -1.527995652e+00 2.38 -7.248205109e+00 -3.851539103e+00 -2.181677974e+00 2.40 -7.447040073e+00 -4.355532815e+00 -2.778173002e+00 2.42 -7.621484420e+00 -4.817583805e+00 -3.322428632e+00 2.44 -7.772853313e+00 -5.240356924e+00 -3.819169040e+00 2.46 -7.902224950e+00 -5.626424705e+00 -4.272806624e+00 2.48 -8.010498266e+00 -5.978242532e+00 -4.687373225e+00 2.50 -8.098453541e+00 -6.298118490e+00 -5.066488878e+00 2.52 -8.166772910e+00 -6.588183789e+00 -5.413348392e+00 2.54 -8.215896330e+00 -6.850370437e+00 -5.730746230e+00 2.56 -8.246720080e+00 -7.086401085e+00 -6.021110830e+00 2.58 -8.260249664e+00 -7.297793787e+00 -6.286550820e+00 2.60 -8.257517792e+00 -7.485882005e+00 -6.528905317e+00 2.62 -8.239602524e+00 -7.651844647e+00 -6.749790479e+00 2.64 -8.207466892e+00 -7.796755317e+00 -6.950654942e+00 2.66 -8.162097061e+00 -7.921605644e+00 -7.132799570e+00 2.68 -8.104033661e+00 -8.027351883e+00 -7.297421074e+00 2.70 -8.032796827e+00 -8.114938254e+00 -7.445631992e+00 2.72 -7.948026941e+00 -8.185313900e+00 -7.578477876e+00 2.74 -7.849678741e+00 -8.239402048e+00 -7.696948832e+00 2.76 -7.737901215e+00 -8.277978433e+00 -7.801986170e+00 2.78 -7.613055668e+00 -8.302151869e+00 -7.894484271e+00 2.80 -7.475879924e+00 -8.313103253e+00 -7.975289320e+00 2.82 -7.327447925e+00 -8.311967021e+00 -8.045041406e+00 2.84 -7.169101146e+00 -8.299899581e+00 -8.104423912e+00 2.86 -7.002353345e+00 -8.277902018e+00 -8.154254664e+00 2.88 -6.828784674e+00 -8.246862355e+00 -8.195220718e+00 2.90 -6.649936947e+00 -8.207573701e+00 -8.227868201e+00 2.92 -6.467218903e+00 -8.160250933e+00 -8.252624524e+00 2.94 -6.281860332e+00 -8.104755393e+00 -8.269791205e+00 2.96 -6.094850262e+00 -8.040920241e+00 -8.279443451e+00 2.98 -5.906960511e+00 -7.968536545e+00 -8.281574066e+00 3.00 -5.718771627e+00 -7.887357624e+00 -8.275898762e+00 3.02 -5.530725259e+00 -7.797303898e+00 -8.261613271e+00 3.04 -5.343185739e+00 -7.698444143e+00 -8.237916130e+00 3.06 -5.156499262e+00 -7.590970513e+00 -8.204110990e+00 3.08 -4.971040780e+00 -7.475146582e+00 -8.159587780e+00 3.10 -4.787241851e+00 -7.351283527e+00 -8.103697013e+00 3.12 -4.605596593e+00 -7.219704581e+00 -8.035864403e+00 3.14 -4.426646954e+00 -7.080734608e+00 -7.955657756e+00 3.16 -4.250951994e+00 -6.934667993e+00 -7.862780202e+00 3.18 -4.079048381e+00 -6.781777448e+00 -7.757060415e+00 3.20 -3.911410277e+00 -6.622314152e+00 -7.638440484e+00 3.22 -3.748416264e+00 -6.456518749e+00 -7.506967903e+00 3.24 -3.590328867e+00 -6.284638376e+00 -7.362782897e+00 3.26 -3.437289286e+00 -6.106948035e+00 -7.206119383e+00 3.28 -3.289326723e+00 -5.923774096e+00 -7.037309032e+00 3.30 -3.146379154e+00 -5.735517288e+00 -6.856794050e+00 3.32 -3.008321016e+00 -5.542672655e+00 -6.665146703e+00 3.34 -2.874993087e+00 -5.345844668e+00 -6.463093090e+00 3.36 -2.746230549e+00 -5.145756548e+00 -6.251537378e+00 3.38 -2.621886361e+00 -4.943253491e+00 -6.031581856e+00 3.40 -2.501848216e+00 -4.739298384e+00 -5.804537875e+00 3.42 -2.386042777e+00 -4.534965294e+00 -5.571923072e+00 3.44 -2.274462020e+00 -4.331413481e+00 -5.335441569e+00 3.46 -2.167121866e+00 -4.129863185e+00 -5.096945820e+00 3.48 -2.064079551e+00 -3.931556346e+00 -4.858381427e+00 3.50 -1.965412890e+00 -3.737711601e+00 -4.621714172e+00 3.52 -1.871204307e+00 -3.549476193e+00 -4.388875372e+00 3.54 -1.781524457e+00 -3.367879619e+00 -4.161656071e+00 3.56 -1.696417605e+00 -3.193793938e+00 -3.941664241e+00 3.58 -1.615890612e+00 -3.027904689e+00 -3.730267860e+00 3.60 -1.539906674e+00 -2.870694819e+00 -3.528562138e+00 3.62 -1.468383961e+00 -2.722442167e+00 -3.337355550e+00 3.64 -1.401198378e+00 -2.583229368e+00 -3.157172892e+00 3.66 -1.338189074e+00 -2.452963783e+00 -2.988271913e+00 3.68 -1.279165301e+00 -2.331404392e+00 -2.830669554e+00 3.70 -1.223913560e+00 -2.218192467e+00 -2.684174175e+00 3.72 -1.172204447e+00 -2.112883145e+00 -2.548420979e+00 3.74 -1.123799053e+00 -2.014975604e+00 -2.422908627e+00 3.76 -1.078454894e+00 -1.923940189e+00 -2.307035443e+00 3.78 -1.035931351e+00 -1.839241442e+00 -2.200133828e+00 3.80 -9.959945035e-01 -1.760356485e+00 -2.101501503e+00 3.82 -9.584210231e-01 -1.686788594e+00 -2.010428436e+00 3.84 -9.230012751e-01 -1.618076057e+00 -1.926218683e+00 3.86 -8.895420492e-01 -1.553796666e+00 -1.848206850e+00 3.88 -8.578668403e-01 -1.493568445e+00 -1.775769436e+00 3.90 -8.278161142e-01 -1.437047446e+00 -1.708331655e+00 3.92 -7.992453454e-01 -1.383921565e+00 -1.645367531e+00 3.94 -7.720307400e-01 -1.333914350e+00 -1.586412929e+00 3.96 -7.460575508e-01 -1.286766457e+00 -1.531043736e+00 3.98 -7.212261263e-01 -1.242241523e+00 -1.478887077e+00 4.00 -6.974485274e-01 -1.200120869e+00 -1.429613765e+00 4.02 -6.746471633e-01 -1.160201943e+00 -1.382934186e+00 4.04 -6.527535113e-01 -1.122297624e+00 -1.338594134e+00 4.06 -6.317069496e-01 -1.086236004e+00 -1.296370764e+00 4.08 -6.114537094e-01 -1.051860287e+00 -1.256068804e+00 4.10 -5.919459508e-01 -1.019022785e+00 -1.217517071e+00 4.12 -5.731409539e-01 -9.876087208e-01 -1.180565336e+00 4.14 -5.550004167e-01 -9.574971966e-01 -1.145081538e+00 4.16 -5.374898503e-01 -9.285869533e-01 -1.110949341e+00 4.18 -5.205780582e-01 -9.007887521e-01 -1.078066009e+00 4.20 -5.042366914e-01 -8.740239198e-01 -1.046340595e+00 4.22 -4.884398674e-01 -8.482229151e-01 -1.015692409e+00 4.24 -4.731638455e-01 -8.233242676e-01 -9.860497481e-01 4.26 -4.583867496e-01 -7.992735626e-01 -9.573488729e-01 4.28 -4.440883321e-01 -7.760225054e-01 -9.295331985e-01 4.30 -4.302497727e-01 -7.535280811e-01 -9.025526851e-01 4.32 -4.168535066e-01 -7.317518140e-01 -8.763633906e-01 4.34 -4.038830778e-01 -7.106591247e-01 -8.509271509e-01 4.36 -3.913200648e-01 -6.902187755e-01 -8.262113358e-01 4.38 -3.791563141e-01 -6.704023975e-01 -8.021886221e-01 4.40 -3.673744169e-01 -6.511840873e-01 -7.788367175e-01 4.42 -3.559612864e-01 -6.325400655e-01 -7.561379694e-01 4.44 -3.449044688e-01 -6.144483876e-01 -7.340788050e-01 4.46 -3.341920856e-01 -5.968886996e-01 -7.126489797e-01 4.48 -3.238127830e-01 -5.798420309e-01 -6.918406436e-01 4.50 -3.137556880e-01 -5.632906195e-01 -6.716472845e-01 4.52 -3.040081335e-01 -5.472177639e-01 -6.520557509e-01 4.54 -2.945649729e-01 -5.316076968e-01 -6.330740558e-01 4.56 -2.854138500e-01 -5.164454786e-01 -6.146852974e-01 4.58 -2.765454877e-01 -5.017169053e-01 -5.968787569e-01 4.60 -2.679509348e-01 -4.874084307e-01 -5.796414322e-01 4.62 -2.596215451e-01 -4.735070986e-01 -5.629583959e-01 4.64 -2.515489581e-01 -4.600004849e-01 -5.468127214e-01 4.66 -2.437250820e-01 -4.468766464e-01 -5.311859606e-01 4.68 -2.361420769e-01 -4.341240770e-01 -5.160586954e-01 4.70 -2.287923402e-01 -4.217316680e-01 -5.014110789e-01 4.72 -2.216684918e-01 -4.096886739e-01 -4.872233142e-01 4.74 -2.147633607e-01 -3.979846808e-01 -4.734760406e-01 4.76 -2.080699715e-01 -3.866095784e-01 -4.601506172e-01 4.78 -2.015815319e-01 -3.755535341e-01 -4.472293106e-01 4.80 -1.952914197e-01 -3.648037927e-01 -4.346953983e-01 4.82 -1.891931704e-01 -3.543579020e-01 -4.225332055e-01 4.84 -1.832804645e-01 -3.442029138e-01 -4.107280943e-01 4.86 -1.775471147e-01 -3.343299003e-01 -3.992664182e-01 4.88 -1.719870533e-01 -3.247301029e-01 -3.881354572e-01 4.90 -1.665943185e-01 -3.153949154e-01 -3.773233425e-01 4.92 -1.613630412e-01 -3.063158667e-01 -3.668189772e-01 4.94 -1.562874306e-01 -2.974846058e-01 -3.566119589e-01 4.96 -1.513617601e-01 -2.888928862e-01 -3.466925063e-01 4.98 -1.465803522e-01 -2.805325534e-01 -3.370513927e-01 5.00 -1.419375629e-01 -2.723955326e-01 -3.276798852e-01 5.02 -1.374277662e-01 -2.644738195e-01 -3.185696917e-01 5.04 -1.330453379e-01 -2.567594737e-01 -3.097129144e-01 5.06 -1.287846388e-01 -2.492446170e-01 -3.011020085e-01 5.08 -1.246399990e-01 -2.419214350e-01 -2.927297476e-01 5.10 -1.206057017e-01 -2.347821873e-01 -2.845891932e-01 5.12 -1.166759680e-01 -2.278192240e-01 -2.766736685e-01 5.14 -1.128449430e-01 -2.210250128e-01 -2.689767355e-01 5.16 -1.091066847e-01 -2.143921780e-01 -2.614921756e-01 5.18 -1.054551546e-01 -2.079135516e-01 -2.542139724e-01 5.20 -1.018842142e-01 -2.015822410e-01 -2.471362966e-01 5.22 -9.838762623e-02 -1.953917110e-01 -2.402534927e-01 5.24 -9.495906386e-02 -1.893358832e-01 -2.335600673e-01 5.26 -9.159212983e-02 -1.834092487e-01 -2.270506781e-01 5.28 -8.828038760e-02 -1.776069935e-01 -2.207201243e-01 5.30 -8.501740758e-02 -1.719251285e-01 -2.145633376e-01 5.32 -8.179683138e-02 -1.663606179e-01 -2.085753736e-01 5.34 -7.861245678e-02 -1.609114935e-01 -2.027514037e-01 5.36 -7.545834631e-02 -1.555769421e-01 -1.970867078e-01 5.38 -7.232896151e-02 -1.503573502e-01 -1.915766661e-01 5.40 -6.921932356e-02 -1.452542928e-01 -1.862167524e-01 5.42 -6.612519953e-02 -1.402704521e-01 -1.810025261e-01 5.44 -6.304331080e-02 -1.354094598e-01 -1.759296255e-01 5.46 -5.997155683e-02 -1.306756635e-01 -1.709937598e-01 5.48 -5.690924366e-02 -1.260738252e-01 -1.661907017e-01 5.50 -5.385730213e-02 -1.216087716e-01 -1.615162798e-01 5.52 -5.081847685e-02 -1.172850222e-01 -1.569663704e-01 5.54 -4.779746230e-02 -1.131064270e-01 -1.525352678e-01 5.56 -4.480096338e-02 -1.090758452e-01 -1.482224050e-01 5.58 -4.183765695e-02 -1.051948922e-01 -1.440218506e-01 5.60 -3.891803578e-02 -1.014636725e-01 -1.399295938e-01 5.62 -3.605412548e-02 -9.788086394e-02 -1.359416274e-01 5.64 -3.325907689e-02 -9.444384060e-02 -1.320539390e-01 5.66 -3.054665064e-02 -9.114859355e-02 -1.282625016e-01 5.68 -2.793062503e-02 -8.798990423e-02 -1.245632644e-01 5.70 -2.542402177e-02 -8.496155757e-02 -1.209521443e-01 5.72 -2.303856382e-02 -8.205657199e-02 -1.174250169e-01 5.74 -2.078461647e-02 -7.926742686e-02 -1.139777091e-01 5.76 -1.867033458e-02 -7.658627263e-02 -1.106059922e-01 5.78 -1.670136252e-02 -7.400511417e-02 -1.073055764e-01 5.80 -1.488070991e-02 -7.151596235e-02 -1.040721077e-01 5.82 -1.320878510e-02 -6.911095334e-02 -1.009011672e-01 5.84 -1.168356739e-02 -6.678243758e-02 -9.778827357e-02 5.86 -1.030088810e-02 -6.452304284e-02 -9.472889030e-02 5.88 -9.054785003e-03 -6.232571640e-02 -9.171843789e-02 5.90 -7.937893649e-03 -6.018375188e-02 -8.875231266e-02 5.92 -6.941843161e-03 -5.809080636e-02 -8.582591336e-02 5.94 -6.057630316e-03 -5.604091250e-02 -8.293467688e-02 5.96 -5.275953463e-03 -5.402849029e-02 -8.007412434e-02 5.98 -4.587495297e-03 -5.204836197e-02 -7.723991910e-02 6.00 -3.983150171e-03 -5.009577295e-02 -7.442793740e-02