# 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 = TaW3 # 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 5.385030067e+02 nan nan 1.16 4.937962935e+02 nan nan 1.18 4.528732362e+02 nan nan 1.20 4.153748696e+02 nan nan 1.22 3.809843879e+02 nan nan 1.24 3.494179180e+02 nan nan 1.26 3.204180244e+02 nan nan 1.28 2.937526384e+02 4.630646254e+02 5.343678929e+02 1.30 2.692169987e+02 4.276367837e+02 4.944580454e+02 1.32 2.466343001e+02 3.949732459e+02 4.575721443e+02 1.34 2.258524221e+02 3.648332190e+02 4.234440218e+02 1.36 2.067373756e+02 3.369928749e+02 3.918426209e+02 1.38 1.891661877e+02 3.112463310e+02 3.625695182e+02 1.40 1.730216975e+02 2.874083275e+02 3.354508406e+02 1.42 1.581902702e+02 2.653159547e+02 3.103281745e+02 1.44 1.445620832e+02 2.448275077e+02 2.870526897e+02 1.46 1.320328560e+02 2.258187444e+02 2.654836019e+02 1.48 1.205057363e+02 2.081784771e+02 2.454892440e+02 1.50 1.098925153e+02 1.918054454e+02 2.269482017e+02 1.52 1.001140321e+02 1.766071752e+02 2.097490991e+02 1.54 9.110002433e+01 1.625001619e+02 1.937893345e+02 1.56 8.278867220e+01 1.494101071e+02 1.789739180e+02 1.58 7.512591849e+01 1.372712630e+02 1.652151441e+02 1.60 6.806450853e+01 1.260247323e+02 1.524328678e+02 1.62 6.156269393e+01 1.156162231e+02 1.405546342e+02 1.64 5.558268664e+01 1.059939606e+02 1.295151387e+02 1.66 5.008914030e+01 9.710725918e+01 1.192550666e+02 1.68 4.504800507e+01 8.890590220e+01 1.097197716e+02 1.70 4.042597303e+01 8.134018113e+01 1.008582897e+02 1.72 3.619048283e+01 7.436131396e+01 9.262295976e+01 1.74 3.231005071e+01 6.792199339e+01 8.496959284e+01 1.76 2.875464611e+01 6.197693359e+01 7.785785798e+01 1.78 2.549592119e+01 5.648339712e+01 7.125146836e+01 1.80 2.250724945e+01 5.140173113e+01 6.511791116e+01 1.82 1.976369777e+01 4.669590535e+01 5.942775000e+01 1.84 1.724375593e+01 4.233395390e+01 5.415374415e+01 1.86 1.493051475e+01 3.828815403e+01 4.927005372e+01 1.88 1.280632479e+01 3.453480585e+01 4.475167621e+01 1.90 1.085329106e+01 3.105361148e+01 4.057411639e+01 1.92 9.055854569e+00 2.782680667e+01 3.671322325e+01 1.94 7.400745813e+00 2.483827349e+01 3.314514382e+01 1.96 5.876737332e+00 2.207282756e+01 2.984639616e+01 1.98 4.474268103e+00 1.951577217e+01 2.679409449e+01 2.00 3.185032566e+00 1.715423141e+01 2.396633831e+01 2.02 2.001604992e+00 1.497858537e+01 2.134271412e+01 2.04 9.171358420e-01 1.297521478e+01 1.890479143e+01 2.06 -7.486885678e-02 1.113049288e+01 1.664000280e+01 2.08 -9.806871674e-01 9.431403637e+00 1.453831241e+01 2.10 -1.806447248e+00 7.865601643e+00 1.258745878e+01 2.12 -2.558130781e+00 6.421491816e+00 1.077710878e+01 2.14 -3.241530046e+00 5.088342178e+00 9.098401544e+00 2.16 -3.862180204e+00 3.856412749e+00 7.543471966e+00 2.18 -4.425289977e+00 2.717058907e+00 6.105055390e+00 2.20 -4.935689056e+00 1.662765831e+00 4.776223527e+00 2.22 -5.397800729e+00 6.870921153e-01 3.550259856e+00 2.24 -5.815638171e+00 -2.154688580e-01 2.420647945e+00 2.26 -6.192817179e+00 -1.049678034e+00 1.381124900e+00 2.28 -6.532577618e+00 -1.819750804e+00 4.257481909e-01 2.30 -6.837808260e+00 -2.529534673e+00 -4.510637197e-01 2.32 -7.111072218e+00 -3.182644000e+00 -1.254534913e+00 2.34 -7.354631659e+00 -3.782544776e+00 -1.989576228e+00 2.36 -7.570471207e+00 -4.332593052e+00 -2.660852463e+00 2.38 -7.760320112e+00 -4.836037390e+00 -3.272850244e+00 2.40 -7.925674072e+00 -5.295998907e+00 -3.829927237e+00 2.42 -8.067818279e+00 -5.715442329e+00 -4.336330844e+00 2.44 -8.187853438e+00 -6.097148710e+00 -4.796183558e+00 2.46 -8.286725951e+00 -6.443696197e+00 -5.213440779e+00 2.48 -8.365118968e+00 -6.757450964e+00 -5.591833413e+00 2.50 -8.423647026e+00 -7.040567383e+00 -5.934810638e+00 2.52 -8.463204023e+00 -7.294995134e+00 -6.245497094e+00 2.54 -8.484825042e+00 -7.522491018e+00 -6.526673959e+00 2.56 -8.489541829e+00 -7.724633980e+00 -6.780786683e+00 2.58 -8.478376072e+00 -7.902842678e+00 -7.009975838e+00 2.60 -8.452354253e+00 -8.058395389e+00 -7.216123332e+00 2.62 -8.412469818e+00 -8.192451962e+00 -7.400904785e+00 2.64 -8.358887020e+00 -8.306077145e+00 -7.565839777e+00 2.66 -8.291080600e+00 -8.400263964e+00 -7.712333888e+00 2.68 -8.208480605e+00 -8.475955436e+00 -7.841709155e+00 2.70 -8.110709332e+00 -8.533931303e+00 -7.955221986e+00 2.72 -7.997653714e+00 -8.575007483e+00 -8.054069538e+00 2.74 -7.869477896e+00 -8.600191927e+00 -8.139386938e+00 2.76 -7.726641269e+00 -8.610564321e+00 -8.212118085e+00 2.78 -7.569911111e+00 -8.607284301e+00 -8.273159381e+00 2.80 -7.400358625e+00 -8.591470962e+00 -8.323590408e+00 2.82 -7.219329414e+00 -8.564204547e+00 -8.364281375e+00 2.84 -7.028384459e+00 -8.526527439e+00 -8.396052653e+00 2.86 -6.829214554e+00 -8.479201121e+00 -8.419684582e+00 2.88 -6.623538228e+00 -8.422343878e+00 -8.435805448e+00 2.90 -6.412998273e+00 -8.355618392e+00 -8.444899249e+00 2.92 -6.199073355e+00 -8.278659827e+00 -8.447314781e+00 2.94 -5.983018412e+00 -8.191302407e+00 -8.443095912e+00 2.96 -5.765841339e+00 -8.093569129e+00 -8.431681982e+00 2.98 -5.548315924e+00 -7.985654628e+00 -8.412364038e+00 3.00 -5.331024048e+00 -7.867900500e+00 -8.384302396e+00 3.02 -5.114415515e+00 -7.740762155e+00 -8.346709887e+00 3.04 -4.898872008e+00 -7.604768553e+00 -8.298877075e+00 3.06 -4.684762700e+00 -7.460478325e+00 -8.240170198e+00 3.08 -4.472482164e+00 -7.308437107e+00 -8.170032204e+00 3.10 -4.262465751e+00 -7.149141188e+00 -8.087985017e+00 3.12 -4.055182512e+00 -6.983011658e+00 -7.993631510e+00 3.14 -3.851110237e+00 -6.810381549e+00 -7.886656216e+00 3.16 -3.650700373e+00 -6.631496518e+00 -7.766824566e+00 3.18 -3.454341965e+00 -6.446527895e+00 -7.633981266e+00 3.20 -3.262333150e+00 -6.255595754e+00 -7.488049083e+00 3.22 -3.074866459e+00 -6.058799142e+00 -7.329029789e+00 3.24 -2.892030897e+00 -5.856250513e+00 -7.157009064e+00 3.26 -2.713830335e+00 -5.648111629e+00 -6.972166833e+00 3.28 -2.540214865e+00 -5.434628455e+00 -6.774793793e+00 3.30 -2.371119867e+00 -5.216162789e+00 -6.565313805e+00 3.32 -2.206506703e+00 -4.993218535e+00 -6.344310580e+00 3.34 -2.046399132e+00 -4.766460609e+00 -6.112555754e+00 3.36 -1.890910442e+00 -4.536724607e+00 -5.871034280e+00 3.38 -1.740257722e+00 -4.305015595e+00 -5.620962306e+00 3.40 -1.594761457e+00 -4.072494774e+00 -5.363792534e+00 3.42 -1.454830577e+00 -3.840453513e+00 -5.101202724e+00 3.44 -1.320934919e+00 -3.610275214e+00 -4.835064605e+00 3.46 -1.193568704e+00 -3.383386776e+00 -4.567392824e+00 3.48 -1.073209694e+00 -3.161202832e+00 -4.300276441e+00 3.50 -9.602790894e-01 -2.945067162e+00 -4.035798368e+00 3.52 -8.551067996e-01 -2.736196520e+00 -3.775950345e+00 3.54 -7.579056721e-01 -2.535632151e+00 -3.522552170e+00 3.56 -6.687567048e-01 -2.344203579e+00 -3.277183538e+00 3.58 -5.876056245e-01 -2.162507728e+00 -3.041135089e+00 3.60 -5.142697441e-01 -1.990904589e+00 -2.815382569e+00 3.62 -4.484529410e-01 -1.829528586e+00 -2.600584791e+00 3.64 -3.897661070e-01 -1.678313169e+00 -2.397103193e+00 3.66 -3.377503036e-01 -1.537024926e+00 -2.205038492e+00 3.68 -2.919001830e-01 -1.405303055e+00 -2.024278644e+00 3.70 -2.516858427e-01 -1.282700065e+00 -1.854551999e+00 3.72 -2.165716815e-01 -1.168720142e+00 -1.695480000e+00 3.74 -1.860322573e-01 -1.062852418e+00 -1.546624835e+00 3.76 -1.595643671e-01 -9.645973678e-01 -1.407528775e+00 3.78 -1.366950293e-01 -8.734854447e-01 -1.277743368e+00 3.80 -1.169869127e-01 -7.890879753e-01 -1.156847979e+00 3.82 -1.000411791e-01 -7.110210010e-01 -1.044458331e+00 3.84 -8.549829008e-02 -6.389433064e-01 -9.402265975e-01 3.86 -7.303729690e-02 -5.725502087e-01 -8.438351748e-01 3.88 -6.237406765e-02 -5.115648131e-01 -7.549865642e-01 3.90 -5.325882705e-02 -4.557283809e-01 -6.733917331e-01 3.92 -4.547330704e-02 -4.047912223e-01 -5.987590289e-01 3.94 -3.882772677e-02 -3.585051665e-01 -5.307852100e-01 3.96 -3.315777653e-02 -3.166182493e-01 -4.691495438e-01 3.98 -2.832170656e-02 -2.788718298e-01 -4.135113151e-01 4.00 -2.419703787e-02 -2.450000154e-01 -3.635105588e-01 4.02 -2.067914555e-02 -2.147310101e-01 -3.187714525e-01 4.04 -1.767902421e-02 -1.877898409e-01 -2.789075770e-01 4.06 -1.512034522e-02 -1.639018780e-01 -2.435282387e-01 4.08 -1.293781600e-02 -1.427966572e-01 -2.122450630e-01 4.10 -1.107568931e-02 -1.242114760e-01 -1.846782330e-01 4.12 -9.486433587e-03 -1.078944352e-01 -1.604619305e-01 4.14 -8.129562472e-03 -9.360795614e-02 -1.392487445e-01 4.16 -6.970614449e-03 -8.113008855e-02 -1.207127349e-01 4.18 -5.980269542e-03 -7.025552371e-02 -1.045519721e-01 4.20 -5.133588729e-03 -6.079623470e-02 -9.048960119e-02 4.22 -4.409361659e-03 -5.258153580e-02 -7.827381939e-02 4.24 -3.789548705e-03 -4.545768403e-02 -6.767746466e-02 4.26 -3.258805186e-03 -3.928714020e-02 -5.849705589e-02 4.28 -2.804076062e-03 -3.394759430e-02 -5.055145088e-02 4.30 -2.414251208e-03 -2.933084202e-02 -4.368025764e-02 4.32 -2.079872516e-03 -2.534159130e-02 -3.774211827e-02 4.34 -1.792885176e-03 -2.189624892e-02 -3.261295229e-02 4.36 -1.546426514e-03 -1.892155449e-02 -2.818419099e-02 4.38 -1.334647128e-03 -1.635352139e-02 -2.436054472e-02 4.40 -1.152558530e-03 -1.413708797e-02 -2.105993267e-02 4.42 -9.959045118e-04 -1.222435935e-02 -1.821126928e-02 4.44 -8.610516860e-04 -1.057375355e-02 -1.575278090e-02 4.46 -7.448966767e-04 -9.149249516e-03 -1.363091800e-02 4.48 -6.447873406e-04 -7.919697493e-03 -1.179934905e-02 4.50 -5.584558802e-04 -6.858196569e-03 -1.021804678e-02 4.52 -4.839619945e-04 -5.941539148e-03 -8.852469292e-03 4.54 -4.196447923e-04 -5.149719480e-03 -7.672834262e-03 4.56 -3.640814903e-04 -4.465501737e-03 -6.653478182e-03 4.58 -3.160527165e-04 -3.874042388e-03 -5.772296953e-03 4.60 -2.745127780e-04 -3.362561382e-03 -5.010257422e-03 4.62 -2.385643964e-04 -2.920056742e-03 -4.350973257e-03 4.64 -2.074371889e-04 -2.537057478e-03 -3.780337532e-03 4.66 -1.804693326e-04 -2.205410099e-03 -3.286205142e-03 4.68 -1.570919332e-04 -1.918094444e-03 -2.858118748e-03 4.70 -1.368156897e-04 -1.669065022e-03 -2.487072604e-03 4.72 -1.192195122e-04 -1.453114435e-03 -2.165309250e-03 4.74 -1.039408028e-04 -1.265755926e-03 -1.886144609e-03 4.76 -9.066714988e-05 -1.103122402e-03 -1.643817634e-03 4.78 -7.912922679e-05 -9.618796764e-04 -1.433361101e-03 4.80 -6.909471717e-05 -8.391518586e-04 -1.250490601e-03 4.82 -6.036311519e-05 -7.324576602e-04 -1.091509190e-03 4.84 -5.276127210e-05 -6.396549051e-04 -9.532254918e-04 4.86 -4.613957959e-05 -5.588936526e-04 -8.328833473e-04 4.88 -4.036869750e-05 -4.885755372e-04 -7.281013849e-04 4.90 -3.533674620e-05 -4.273189144e-04 -6.368210998e-04 4.92 -3.094689636e-05 -3.739289077e-04 -5.572622347e-04 4.94 -2.711529878e-05 -3.273716636e-04 -4.878844263e-04 4.96 -2.376930522e-05 -2.867522139e-04 -4.273542278e-04 4.98 -2.084593843e-05 -2.512954358e-04 -3.745167435e-04 5.00 -1.829057576e-05 -2.203296689e-04 -3.283712230e-04 5.02 -1.605581589e-05 -1.932726145e-04 -2.880500527e-04 5.04 -1.410050272e-05 -1.696191918e-04 -2.528006663e-04 5.06 -1.238888404e-05 -1.489310781e-04 -2.219699599e-04 5.08 -1.088988603e-05 -1.308276933e-04 -1.949908614e-04 5.10 -9.576487393e-06 -1.149784265e-04 -1.713707494e-04 5.12 -8.425178959e-06 -1.010959307e-04 -1.506814630e-04 5.14 -7.415496991e-06 -8.893033596e-05 -1.325506805e-04 5.16 -6.529619849e-06 -7.826425250e-05 -1.166544744e-04 5.18 -5.752019259e-06 -6.890845436e-05 -1.027108811e-04 5.20 -5.069158601e-06 -6.069814880e-05 -9.047434192e-05 5.22 -4.469231770e-06 -5.348975046e-05 -7.973089759e-05 5.24 -3.941937037e-06 -4.715809057e-05 -7.029402977e-05 5.26 -3.478281089e-06 -4.159400144e-05 -6.200106229e-05 5.28 -3.070409168e-06 -3.670222463e-05 -5.471004438e-05 5.30 -2.711457733e-06 -3.239959857e-05 -4.829705034e-05 5.32 -2.395426614e-06 -2.861348753e-05 -4.265383869e-05 5.34 -2.117068009e-06 -2.528041909e-05 -3.768582212e-05 5.36 -1.871790059e-06 -2.234490187e-05 -3.331030586e-05 5.38 -1.655573062e-06 -1.975839922e-05 -2.945495847e-05 5.40 -1.464896609e-06 -1.747843771e-05 -2.605648352e-05 5.42 -1.296676206e-06 -1.546783254e-05 -2.305946537e-05 5.44 -1.148208115e-06 -1.369401403e-05 -2.041536562e-05 5.46 -1.017121327e-06 -1.212844179e-05 -1.808165028e-05 5.48 -9.013357168e-07 -1.074609497e-05 -1.602103006e-05 5.50 -7.990255828e-07 -9.525028349e-06 -1.420079904e-05 5.52 -7.085878486e-07 -8.445985708e-06 -1.259225845e-05 5.54 -6.286143275e-07 -7.492062872e-06 -1.117017464e-05 5.56 -5.578675146e-07 -6.648413919e-06 -9.912506133e-06 5.58 -4.952594519e-07 -5.901994890e-06 -8.799766589e-06 5.60 -4.398332654e-07 -5.241340129e-06 -7.814867271e-06 5.62 -3.907470303e-07 -4.656366999e-06 -6.942780548e-06 5.64 -3.472596648e-07 -4.138205299e-06 -6.170285693e-06 5.66 -3.087185920e-07 -3.679048179e-06 -5.485746721e-06 5.68 -2.745489432e-07 -3.272021804e-06 -4.878918158e-06 5.70 -2.442441056e-07 -2.911071339e-06 -4.340775138e-06 5.72 -2.173574458e-07 -2.590861177e-06 -3.863364716e-06 5.74 -1.934950562e-07 -2.306687594e-06 -3.439675702e-06 5.76 -1.723093982e-07 -2.054402239e-06 -3.063524640e-06 5.78 -1.534937279e-07 -1.830345093e-06 -2.729455906e-06 5.80 -1.367772057e-07 -1.631285707e-06 -2.432654122e-06 5.82 -1.219206047e-07 -1.454371655e-06 -2.168867344e-06 5.84 -1.087125425e-07 -1.297083316e-06 -1.934339670e-06 5.86 -9.696617213e-08 -1.157194183e-06 -1.725752086e-06 5.88 -8.651627402e-08 -1.032736005e-06 -1.540170514e-06 5.90 -7.721669988e-08 -9.219681707e-07 -1.375000184e-06 5.92 -6.893812515e-08 -8.233507965e-07 -1.227945522e-06 5.94 -6.156607169e-08 -7.355210683e-07 -1.096974892e-06 5.96 -5.499916774e-08 -6.572724312e-07 -9.802895780e-07 5.98 -4.914761600e-08 -5.875362783e-07 -8.762964917e-07 6.00 -4.393184456e-08 -5.253658329e-07 -7.835841503e-07