# 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 = Au3Ti # 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 4.219882301e+02 nan nan 1.16 3.893489566e+02 nan nan 1.18 3.593346605e+02 nan nan 1.20 3.317089015e+02 nan nan 1.22 3.062598069e+02 nan nan 1.24 2.827980672e+02 nan nan 1.26 2.611542733e+02 nan nan 1.28 2.411758709e+02 3.676586186e+02 4.196400827e+02 1.30 2.227239487e+02 3.415554988e+02 3.905047270e+02 1.32 2.056710466e+02 3.173532932e+02 3.634665729e+02 1.34 1.899009035e+02 2.949003914e+02 3.383573859e+02 1.36 1.753086855e+02 2.740583449e+02 3.150241473e+02 1.38 1.618001231e+02 2.547001916e+02 2.933281431e+02 1.40 1.492897798e+02 2.367101504e+02 2.731439943e+02 1.42 1.376993522e+02 2.199831060e+02 2.543582440e+02 1.44 1.269565358e+02 2.044235138e+02 2.368673146e+02 1.46 1.169945431e+02 1.899442043e+02 2.205755563e+02 1.48 1.077519274e+02 1.764653271e+02 2.053941289e+02 1.50 9.917222118e+01 1.639134125e+02 1.912406349e+02 1.52 9.120333045e+01 1.522206204e+02 1.780389459e+02 1.54 8.379709999e+01 1.413241403e+02 1.657188757e+02 1.56 7.690933221e+01 1.311655364e+02 1.542158664e+02 1.58 7.050004478e+01 1.216901245e+02 1.434708817e+02 1.60 6.453353115e+01 1.128467530e+02 1.334302401e+02 1.62 5.897794713e+01 1.045880573e+02 1.240450463e+02 1.64 5.380446413e+01 9.687083806e+01 1.152703000e+02 1.66 4.899556137e+01 8.965617794e+01 1.070640793e+02 1.68 4.455980903e+01 8.290914394e+01 9.938709089e+01 1.70 4.047192660e+01 7.659813894e+01 9.220255550e+01 1.72 3.670484669e+01 7.069412869e+01 8.547622066e+01 1.74 3.323366995e+01 6.517002115e+01 7.917635477e+01 1.76 3.003560247e+01 6.000034586e+01 7.327364560e+01 1.78 2.708974821e+01 5.516114186e+01 6.774097981e+01 1.80 2.437686951e+01 5.063038776e+01 6.255317026e+01 1.82 2.187917960e+01 4.641224874e+01 5.768676380e+01 1.84 1.958016945e+01 4.249803264e+01 5.312000259e+01 1.86 1.746447806e+01 3.886537973e+01 4.883897188e+01 1.88 1.551783074e+01 3.549380356e+01 4.485319779e+01 1.90 1.372703836e+01 3.236468747e+01 4.114642766e+01 1.92 1.208000316e+01 2.946117578e+01 3.769998622e+01 1.94 1.056567816e+01 2.676795500e+01 3.449642308e+01 1.96 9.173977318e+00 2.427095752e+01 3.151927266e+01 1.98 7.895668600e+00 2.195705756e+01 2.875294977e+01 2.00 6.722278931e+00 1.981383939e+01 2.618275295e+01 2.02 5.646017503e+00 1.782947851e+01 2.379491301e+01 2.04 4.659712459e+00 1.599272210e+01 2.157662551e+01 2.06 3.756755837e+00 1.429292826e+01 1.951603666e+01 2.08 2.931054057e+00 1.272012511e+01 1.760219138e+01 2.10 2.176978614e+00 1.126505847e+01 1.582497304e+01 2.12 1.489311033e+00 9.919206338e+00 1.417505403e+01 2.14 8.631813387e-01 8.674753076e+00 1.264385732e+01 2.16 2.940092126e-01 7.524532418e+00 1.122351468e+01 2.18 -2.225373177e-01 6.461957210e+00 9.906805651e+00 2.20 -6.905556317e-01 5.480952352e+00 8.687069428e+00 2.22 -1.113897574e+00 4.575899076e+00 7.558096121e+00 2.24 -1.496149057e+00 3.741590935e+00 6.514021649e+00 2.26 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-4.059855229e+00 -3.530073502e+00 -3.030478432e+00 2.64 -4.052350312e+00 -3.640902652e+00 -3.202985358e+00 2.66 -4.036947707e+00 -3.737187583e+00 -3.356650764e+00 2.68 -4.014264273e+00 -3.820061287e+00 -3.492783755e+00 2.70 -3.984949620e+00 -3.890555633e+00 -3.612590615e+00 2.72 -3.949661139e+00 -3.949609584e+00 -3.717193991e+00 2.74 -3.909021178e+00 -3.998075057e+00 -3.807675009e+00 2.76 -3.863615614e+00 -4.036726583e+00 -3.884950510e+00 2.78 -3.813995105e+00 -4.066272074e+00 -3.949879965e+00 2.80 -3.760667598e+00 -4.087391094e+00 -4.003298314e+00 2.82 -3.704096028e+00 -4.100743528e+00 -4.046027768e+00 2.84 -3.644700144e+00 -4.106608754e+00 -4.078886765e+00 2.86 -3.582860649e+00 -4.105238408e+00 -4.102693685e+00 2.88 -3.518924347e+00 -4.096924245e+00 -4.118307221e+00 2.90 -3.453208987e+00 -4.081989849e+00 -4.126592943e+00 2.92 -3.386006753e+00 -4.060784997e+00 -4.127991660e+00 2.94 -3.317586300e+00 -4.033682489e+00 -4.122938455e+00 2.96 -3.248192932e+00 -4.001075944e+00 -4.111882899e+00 2.98 -3.178048834e+00 -3.963368051e+00 -4.095264958e+00 3.00 -3.107353385e+00 -3.920973916e+00 -4.073499054e+00 3.02 -3.036284331e+00 -3.874336082e+00 -4.046967385e+00 3.04 -2.964999795e+00 -3.823920855e+00 -4.016019816e+00 3.06 -2.893640855e+00 -3.770207919e+00 -3.980968123e+00 3.08 -2.822334455e+00 -3.713674871e+00 -3.942089512e+00 3.10 -2.751196487e+00 -3.654779749e+00 -3.899647972e+00 3.12 -2.680334969e+00 -3.593944641e+00 -3.853898913e+00 3.14 -2.609853206e+00 -3.531544037e+00 -3.805090918e+00 3.16 -2.539852681e+00 -3.467899164e+00 -3.753466477e+00 3.18 -2.470435265e+00 -3.403278862e+00 -3.699262090e+00 3.20 -2.401704278e+00 -3.337904923e+00 -3.642708221e+00 3.22 -2.333764056e+00 -3.271959997e+00 -3.584029555e+00 3.24 -2.266718021e+00 -3.205596099e+00 -3.523445603e+00 3.26 -2.200665730e+00 -3.138942378e+00 -3.461172037e+00 3.28 -2.135699710e+00 -3.072111486e+00 -3.397422338e+00 3.30 -2.071902866e+00 -3.005204409e+00 -3.332409442e+00 3.32 -2.009346917e+00 -2.938313916e+00 -3.266346789e+00 3.34 -1.948091760e+00 -2.871526953e+00 -3.199448154e+00 3.36 -1.888185364e+00 -2.804926292e+00 -3.131925949e+00 3.38 -1.829663752e+00 -2.738591725e+00 -3.063988109e+00 3.40 -1.772550947e+00 -2.672600997e+00 -2.995834299e+00 3.42 -1.716859004e+00 -2.607030715e+00 -2.927652456e+00 3.44 -1.662588800e+00 -2.541957080e+00 -2.859616584e+00 3.46 -1.609730851e+00 -2.477456724e+00 -2.791886237e+00 3.48 -1.558267408e+00 -2.413607320e+00 -2.724607398e+00 3.50 -1.508174539e+00 -2.350487839e+00 -2.657913928e+00 3.52 -1.459424270e+00 -2.288178206e+00 -2.591929015e+00 3.54 -1.411986383e+00 -2.226758100e+00 -2.526765130e+00 3.56 -1.365829719e+00 -2.166304855e+00 -2.462523479e+00 3.58 -1.320922935e+00 -2.106890605e+00 -2.399292366e+00 3.60 -1.277234788e+00 -2.048579127e+00 -2.337145400e+00 3.62 -1.234734077e+00 -1.991422961e+00 -2.276140137e+00 3.64 -1.193389366e+00 -1.935461403e+00 -2.216317576e+00 3.66 -1.153168618e+00 -1.880719710e+00 -2.157702701e+00 3.68 -1.114038826e+00 -1.827209568e+00 -2.100305951e+00 3.70 -1.075965719e+00 -1.774930577e+00 -2.044125351e+00 3.72 -1.038913578e+00 -1.723872354e+00 -1.989148956e+00 3.74 -1.002845204e+00 -1.674016843e+00 -1.935357316e+00 3.76 -9.677220465e-01 -1.625340506e+00 -1.882725752e+00 3.78 -9.335045227e-01 -1.577816212e+00 -1.831226325e+00 3.80 -9.001525233e-01 -1.531414761e+00 -1.780829475e+00 3.82 -8.676261251e-01 -1.486106036e+00 -1.731505360e+00 3.84 -8.358865040e-01 -1.441859851e+00 -1.683224909e+00 3.86 -8.048970400e-01 -1.398646538e+00 -1.635960670e+00 3.88 -7.746245852e-01 -1.356437336e+00 -1.589687462e+00 3.90 -7.450408426e-01 -1.315204613e+00 -1.544382868e+00 3.92 -7.161237499e-01 -1.274921940e+00 -1.500027555e+00 3.94 -6.878588723e-01 -1.235564174e+00 -1.456605649e+00 3.96 -6.602403273e-01 -1.197107226e+00 -1.414104604e+00 3.98 -6.332715020e-01 -1.159528034e+00 -1.372515375e+00 4.00 -6.069650337e-01 -1.122804399e+00 -1.331832256e+00 4.02 -5.813420405e-01 -1.086914871e+00 -1.292052651e+00 4.04 -5.564304956e-01 -1.051838708e+00 -1.253176694e+00 4.06 -5.322627764e-01 -1.017555927e+00 -1.215206703e+00 4.08 -5.088725584e-01 -9.840474849e-01 -1.178146443e+00 4.10 -4.862913613e-01 -9.512955362e-01 -1.142000212e+00 4.12 -4.645451485e-01 -9.192841528e-01 -1.106771785e+00 4.14 -4.436514058e-01 -8.879994788e-01 -1.072463327e+00 4.16 -4.236170670e-01 -8.574306686e-01 -1.039074376e+00 4.18 -4.044375205e-01 -8.275704578e-01 -1.006601032e+00 4.20 -3.860967589e-01 -7.984157307e-01 -9.750354564e-01 4.22 -3.685685774e-01 -7.699679005e-01 -9.443657096e-01 4.24 -3.518185620e-01 -7.422329972e-01 -9.145759247e-01 4.26 -3.358066016e-01 -7.152213680e-01 -8.856467431e-01 4.28 -3.204895859e-01 -6.889469307e-01 -8.575559167e-01 4.30 -3.058240247e-01 -6.634259748e-01 -8.302789750e-01 4.32 -2.917683733e-01 -6.386755712e-01 -8.037898732e-01 4.34 -2.782849134e-01 -6.147117227e-01 -7.780615625e-01 4.36 -2.653410672e-01 -5.915474399e-01 -7.530664513e-01 4.38 -2.529103021e-01 -5.691909562e-01 -7.287767469e-01 4.40 -2.409721099e-01 -5.476442795e-01 -7.051646857e-01 4.42 -2.295118005e-01 -5.269022336e-01 -6.822026668e-01 4.44 -2.185196287e-01 -5.069520649e-01 -6.598633090e-01 4.46 -2.079895839e-01 -4.877736098e-01 -6.381194521e-01 4.48 -1.979179371e-01 -4.693399441e-01 -6.169441225e-01 4.50 -1.883016984e-01 -4.516183900e-01 -5.963104801e-01 4.52 -1.791371194e-01 -4.345717314e-01 -5.761916894e-01 4.54 -1.704185612e-01 -4.181595014e-01 -5.565611937e-01 4.56 -1.621373778e-01 -4.023392269e-01 -5.373922052e-01 4.58 -1.542815112e-01 -3.870675528e-01 -5.186580749e-01 4.60 -1.468353131e-01 -3.723012074e-01 -5.003322734e-01 4.62 -1.397797550e-01 -3.579977973e-01 -4.823885218e-01 4.64 -1.330929178e-01 -3.441164501e-01 -4.648009915e-01 4.66 -1.267506661e-01 -3.306183311e-01 -4.475445802e-01 4.68 -1.207274191e-01 -3.174670745e-01 -4.305952722e-01 4.70 -1.149969319e-01 -3.046291621e-01 -4.139305855e-01 4.72 -1.095327903e-01 -2.920742854e-01 -3.975301069e-01 4.74 -1.043095662e-01 -2.797757124e-01 -3.813761079e-01 4.76 -9.930327717e-02 -2.677106748e-01 -3.654542276e-01 4.78 -9.449151043e-02 -2.558607763e-01 -3.497541966e-01 4.80 -8.985379947e-02 -2.442123661e-01 -3.342705651e-01 4.82 -8.537188479e-02 -2.327571160e-01 -3.190033838e-01 4.84 -8.102987656e-02 -2.214920844e-01 -3.039587740e-01 4.86 -7.681433394e-02 -2.104201458e-01 -2.891493138e-01 4.88 -7.271427205e-02 -1.995500099e-01 -2.745941636e-01 4.90 -6.872110535e-02 -1.888960703e-01 -2.603188595e-01 4.92 -6.482853468e-02 -1.784779808e-01 -2.463547215e-01 4.94 -6.103238597e-02 -1.683199288e-01 -2.327378493e-01 4.96 -5.733041068e-02 -1.584495982e-01 -2.195077210e-01 4.98 -5.372206114e-02 -1.488968533e-01 -2.067054556e-01 5.00 -5.020825605e-02 -1.396922068e-01 -1.943718441e-01 5.02 -4.679115211e-02 -1.308651724e-01 -1.825452937e-01 5.04 -4.347393525e-02 -1.224426259e-01 -1.712598499e-01 5.06 -4.026063933e-02 -1.144473065e-01 -1.605434588e-01 5.08 -3.715599211e-02 -1.068965825e-01 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-3.561112011e-02 -5.274930528e-02 5.46 -3.768635925e-03 -3.383870858e-02 -5.019291641e-02 5.48 -3.236580906e-03 -3.215991172e-02 -4.776135155e-02 5.50 -2.775759567e-03 -3.056196398e-02 -4.543778393e-02 5.52 -2.377803815e-03 -2.903358892e-02 -4.320729733e-02 5.54 -2.035006870e-03 -2.756492066e-02 -4.105678365e-02 5.56 -1.740361165e-03 -2.614743703e-02 -3.897497042e-02 5.58 -1.487564164e-03 -2.477390607e-02 -3.695222996e-02 5.60 -1.271000120e-03 -2.343834584e-02 -3.498064823e-02 5.62 -1.085704952e-03 -2.213599443e-02 -3.305398029e-02 5.64 -9.273203198e-04 -2.086328536e-02 -3.116763675e-02 5.66 -7.920417349e-04 -1.961782225e-02 -2.931866610e-02 5.68 -6.765643681e-04 -1.839834499e-02 -2.750572154e-02 5.70 -5.780292473e-04 -1.720467937e-02 -2.572900054e-02 5.72 -4.939716665e-04 -1.603766240e-02 -2.399014586e-02 5.74 -4.222729570e-04 -1.489903722e-02 -2.229209892e-02 5.76 -3.611162693e-04 -1.379131385e-02 -2.063890064e-02 5.78 -3.089466502e-04 -1.271746672e-02 -1.903527635e-02 5.80 -2.644354268e-04 -1.168093564e-02 -1.748653480e-02 5.82 -2.264487348e-04 -1.068546317e-02 -1.599845996e-02 5.84 -1.940199339e-04 -9.734725344e-03 -1.457670969e-02 5.86 -1.663255834e-04 -8.832110447e-03 -1.322648733e-02 5.88 -1.426646270e-04 -7.980522118e-03 -1.195225007e-02 5.90 -1.224404364e-04 -7.182220403e-03 -1.075747353e-02 5.92 -1.051453784e-04 -6.438710705e-03 -9.644487863e-03 5.94 -9.034758758e-05 -5.750685517e-03 -8.614392468e-03 5.96 -7.767965552e-05 -5.118018442e-03 -7.667048889e-03 5.98 -6.682897913e-05 -4.539805214e-03 -6.801143855e-03 6.00 -5.752953713e-05 -4.014442720e-03 -6.014309111e-03