# 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 = Ag3Mo # 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 3.276749466e+02 nan nan 1.16 3.012242596e+02 nan nan 1.18 2.769646882e+02 nan nan 1.20 2.547008274e+02 nan nan 1.22 2.342545785e+02 nan nan 1.24 2.154644329e+02 nan nan 1.26 1.981847535e+02 nan nan 1.28 1.822842725e+02 2.834183228e+02 3.252096948e+02 1.30 1.676444966e+02 2.623794278e+02 3.016325305e+02 1.32 1.541587102e+02 2.429260384e+02 2.798062628e+02 1.34 1.417310005e+02 2.249309255e+02 2.595885360e+02 1.36 1.302747371e+02 2.082767809e+02 2.408499171e+02 1.38 1.197109738e+02 1.928556381e+02 2.234726540e+02 1.40 1.099674389e+02 1.785684199e+02 2.073492815e+02 1.42 1.009780413e+02 1.653244642e+02 1.923818404e+02 1.44 9.268236528e+01 1.530409272e+02 1.784815407e+02 1.46 8.502495950e+01 1.416421323e+02 1.655681386e+02 1.48 7.795467231e+01 1.310591375e+02 1.535688120e+02 1.50 7.142427879e+01 1.212295480e+02 1.424169012e+02 1.52 6.539046063e+01 1.120972076e+02 1.320508602e+02 1.54 5.981600864e+01 1.036115059e+02 1.224135389e+02 1.56 5.466680902e+01 9.572646526e+01 1.134517464e+02 1.58 4.991428262e+01 8.839991140e+01 1.051159785e+02 1.60 4.552843757e+01 8.159283373e+01 9.736023770e+01 1.62 4.148119883e+01 7.526888382e+01 9.014191618e+01 1.64 3.774676274e+01 6.939397506e+01 8.342166690e+01 1.66 3.430143310e+01 6.393632688e+01 7.716320485e+01 1.68 3.112352340e+01 5.886793372e+01 7.133308483e+01 1.70 2.819323440e+01 5.416121820e+01 6.590059065e+01 1.72 2.549246135e+01 4.979307995e+01 6.083968888e+01 1.74 2.300455385e+01 4.574015551e+01 5.612553948e+01 1.76 2.071408318e+01 4.197945821e+01 5.173613619e+01 1.78 1.860665909e+01 3.848970725e+01 4.765205298e+01 1.80 1.666880432e+01 3.525123727e+01 4.385277783e+01 1.82 1.488786976e+01 3.224597250e+01 4.031927365e+01 1.84 1.325197337e+01 2.945740188e+01 3.703378079e+01 1.86 1.174996129e+01 2.687049208e+01 3.397961566e+01 1.88 1.037139158e+01 2.447152146e+01 3.114101608e+01 1.90 9.106526384e+00 2.224786108e+01 2.850306721e+01 1.92 7.946310550e+00 2.018774881e+01 2.605171186e+01 1.94 6.882331009e+00 1.828010442e+01 2.377379831e+01 1.96 5.906773279e+00 1.651441820e+01 2.165709651e+01 1.98 5.012396372e+00 1.488071532e+01 1.969024875e+01 2.00 4.192531869e+00 1.336956780e+01 1.786268169e+01 2.02 3.441093802e+00 1.197211393e+01 1.616453302e+01 2.04 2.752577686e+00 1.068005531e+01 1.458662458e+01 2.06 2.122032317e+00 9.485623104e+00 1.312047608e+01 2.08 1.545001134e+00 8.381526313e+00 1.175832900e+01 2.10 1.017443002e+00 7.360906407e+00 1.049314863e+01 2.12 5.356494443e-01 6.417318735e+00 9.318585646e+00 2.14 9.617489170e-02 5.544745092e+00 8.228896246e+00 2.16 -3.041901518e-01 4.737625769e+00 7.218834169e+00 2.18 -6.683171922e-01 3.990891808e+00 6.283533577e+00 2.20 -9.992035731e-01 3.299980273e+00 5.418402277e+00 2.22 -1.299674625e+00 2.660823037e+00 4.619042138e+00 2.24 -1.572288232e+00 2.069808838e+00 3.881208095e+00 2.26 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-3.444178612e+00 -3.139862137e+00 -2.750309551e+00 2.64 -3.436663963e+00 -3.216996149e+00 -2.872864034e+00 2.66 -3.423576801e+00 -3.283079559e+00 -2.982523023e+00 2.68 -3.404986192e+00 -3.338965240e+00 -3.079905244e+00 2.70 -3.381016571e+00 -3.385408466e+00 -3.165613491e+00 2.72 -3.351839789e+00 -3.423067637e+00 -3.240238077e+00 2.74 -3.317654946e+00 -3.452515053e+00 -3.304360526e+00 2.76 -3.278670743e+00 -3.474253524e+00 -3.358557938e+00 2.78 -3.235094934e+00 -3.488734097e+00 -3.403408225e+00 2.80 -3.187150740e+00 -3.496371591e+00 -3.439495949e+00 2.82 -3.135055501e+00 -3.497569683e+00 -3.467417700e+00 2.84 -3.079001381e+00 -3.492838104e+00 -3.487785190e+00 2.86 -3.019159547e+00 -3.482413065e+00 -3.501223653e+00 2.88 -2.955687921e+00 -3.466470484e+00 -3.508363475e+00 2.90 -2.888742097e+00 -3.445378816e+00 -3.509824417e+00 2.92 -2.818488713e+00 -3.419337860e+00 -3.506194165e+00 2.94 -2.745120143e+00 -3.388437552e+00 -3.498007457e+00 2.96 -2.668869088e+00 -3.352853401e+00 -3.485972520e+00 2.98 -2.590021559e+00 -3.312846498e+00 -3.470410830e+00 3.00 -2.508926598e+00 -3.268736315e+00 -3.451333112e+00 3.02 -2.426001122e+00 -3.220888839e+00 -3.428731923e+00 3.04 -2.341728454e+00 -3.169702859e+00 -3.402585988e+00 3.06 -2.256649669e+00 -3.115597057e+00 -3.372867870e+00 3.08 -2.171347735e+00 -3.059001385e+00 -3.339552094e+00 3.10 -2.086425541e+00 -3.000322411e+00 -3.302621943e+00 3.12 -2.002480013e+00 -2.939922134e+00 -3.262079113e+00 3.14 -1.920075264e+00 -2.878105691e+00 -3.217962869e+00 3.16 -1.839717983e+00 -2.815115530e+00 -3.170331803e+00 3.18 -1.761837841e+00 -2.751132548e+00 -3.119257363e+00 3.20 -1.686774791e+00 -2.686283336e+00 -3.064824422e+00 3.22 -1.614773949e+00 -2.620651838e+00 -3.007132153e+00 3.24 -1.545987604e+00 -2.554293419e+00 -2.946295735e+00 3.26 -1.480483013e+00 -2.487249542e+00 -2.882449205e+00 3.28 -1.418254183e+00 -2.419561713e+00 -2.815749469e+00 3.30 -1.359235750e+00 -2.351283799e+00 -2.746381241e+00 3.32 -1.303317287e+00 -2.282492179e+00 -2.674562422e+00 3.34 -1.250356788e+00 -2.213293341e+00 -2.600549200e+00 3.36 -1.200192498e+00 -2.143828622e+00 -2.524639994e+00 3.38 -1.152652672e+00 -2.074275845e+00 -2.447177352e+00 3.40 -1.107563192e+00 -2.004847679e+00 -2.368546973e+00 3.42 -1.064753160e+00 -1.935786758e+00 -2.289173297e+00 3.44 -1.024058733e+00 -1.867357824e+00 -2.209511447e+00 3.46 -9.853255033e-01 -1.799837525e+00 -2.130035737e+00 3.48 -9.484097594e-01 -1.733502721e+00 -2.051225426e+00 3.50 -9.131789114e-01 -1.668618423e+00 -1.973548740e+00 3.52 -8.795113263e-01 -1.605426482e+00 -1.897446450e+00 3.54 -8.472957640e-01 -1.544136073e+00 -1.823316372e+00 3.56 -8.164305867e-01 -1.484916733e+00 -1.751500156e+00 3.58 -7.868228351e-01 -1.427894347e+00 -1.682273453e+00 3.60 -7.583872611e-01 -1.373150120e+00 -1.615840254e+00 3.62 -7.310453709e-01 -1.320722216e+00 -1.552331681e+00 3.64 -7.047245164e-01 -1.270609532e+00 -1.491809065e+00 3.66 -6.793570624e-01 -1.222776943e+00 -1.434270609e+00 3.68 -6.548796481e-01 -1.177161363e+00 -1.379660653e+00 3.70 -6.312325548e-01 -1.133678036e+00 -1.327880379e+00 3.72 -6.083591935e-01 -1.092226587e+00 -1.278798867e+00 3.74 -5.862057186e-01 -1.052696525e+00 -1.232263595e+00 3.76 -5.647207773e-01 -1.014972006e+00 -1.188109770e+00 3.78 -5.438554017e-01 -9.789357618e-01 -1.146168140e+00 3.80 -5.235630506e-01 -9.444722226e-01 -1.106271182e+00 3.82 -5.037998070e-01 -9.114698550e-01 -1.068257738e+00 3.84 -4.845247342e-01 -8.798228173e-01 -1.031976238e+00 3.86 -4.657003924e-01 -8.494320164e-01 -9.972867407e-01 3.88 -4.472935049e-01 -8.202056658e-01 -9.640619990e-01 3.90 -4.292757539e-01 -7.920594422e-01 -9.321877532e-01 3.92 -4.116246630e-01 -7.649163271e-01 -9.015624484e-01 3.94 -3.943245010e-01 -7.387062299e-01 -8.720965399e-01 3.96 -3.773670931e-01 -7.133654509e-01 -8.437115045e-01 3.98 -3.607524243e-01 -6.888360831e-01 -8.163387077e-01 4.00 -3.444888660e-01 -6.650653970e-01 -7.899181957e-01 4.02 -3.285928749e-01 -6.420052719e-01 -7.643974948e-01 4.04 -3.130880406e-01 -6.196117168e-01 -7.397304733e-01 4.06 -2.980034253e-01 -5.978445159e-01 -7.158762987e-01 4.08 -2.833712491e-01 -5.766670215e-01 -6.927985131e-01 4.10 -2.692240886e-01 -5.560461034e-01 -6.704642337e-01 4.12 -2.555918755e-01 -5.359522724e-01 -6.488434763e-01 4.14 -2.424990448e-01 -5.163599126e-01 -6.279085937e-01 4.16 -2.299621903e-01 -4.972476599e-01 -6.076338173e-01 4.18 -2.179885153e-01 -4.785988222e-01 -5.879948860e-01 4.20 -2.065752405e-01 -4.604017954e-01 -5.689687492e-01 4.22 -1.957099982e-01 -4.426503851e-01 -5.505333298e-01 4.24 -1.853720584e-01 -4.253439393e-01 -5.326673339e-01 4.26 -1.755342134e-01 -4.084871952e-01 -5.153500981e-01 4.28 -1.661650212e-01 -3.920897654e-01 -4.985614640e-01 4.30 -1.572311611e-01 -3.761652177e-01 -4.822816742e-01 4.32 -1.486996719e-01 -3.607297621e-01 -4.664912834e-01 4.34 -1.405399032e-01 -3.458006161e-01 -4.511710802e-01 4.36 -1.327250567e-01 -3.313941822e-01 -4.363020174e-01 4.38 -1.252332532e-01 -3.175242154e-01 -4.218651478e-01 4.40 -1.180480811e-01 -3.042001722e-01 -4.078415651e-01 4.42 -1.111586409e-01 -2.914259155e-01 -3.942123481e-01 4.44 -1.045591067e-01 -2.791988960e-01 -3.809585101e-01 4.46 -9.824787278e-02 -2.675098643e-01 -3.680609521e-01 4.48 -9.222638023e-02 -2.563430895e-01 -3.555004236e-01 4.50 -8.649774850e-02 -2.456770026e-01 -3.432574905e-01 4.52 -8.106535439e-02 -2.354851414e-01 -3.313125120e-01 4.54 -7.593150392e-02 -2.257372643e-01 -3.196456498e-01 4.56 -7.109632574e-02 -2.164005070e-01 -3.082368584e-01 4.58 -6.655698602e-02 -2.074404871e-01 -2.970659403e-01 4.60 -6.230725559e-02 -1.988222897e-01 -2.861126110e-01 4.62 -5.833744419e-02 -1.905113033e-01 -2.753566064e-01 4.64 -5.463464462e-02 -1.824739015e-01 -2.647778363e-01 4.66 -5.118324122e-02 -1.746779856e-01 -2.543565918e-01 4.68 -4.796556795e-02 -1.670934156e-01 -2.440738136e-01 4.70 -4.496261167e-02 -1.596923611e-01 -2.339114305e-01 4.72 -4.215453583e-02 -1.524496049e-01 -2.238527696e-01 4.74 -3.952199955e-02 -1.453428252e-01 -2.138830411e-01 4.76 -3.704635559e-02 -1.383528763e-01 -2.039898910e-01 4.78 -3.471003792e-02 -1.314640769e-01 -1.941640110e-01 4.80 -3.249698618e-02 -1.246645046e-01 -1.843997814e-01 4.82 -3.039295372e-02 -1.179462929e-01 -1.746959144e-01 4.84 -2.838571144e-02 -1.113058824e-01 -1.650560513e-01 4.86 -2.646515926e-02 -1.047442274e-01 -1.554892575e-01 4.88 -2.462335480e-02 -9.826689051e-02 -1.460103491e-01 4.90 -2.285446609e-02 -9.188399234e-02 -1.366399847e-01 4.92 -2.115455343e-02 -8.560997406e-02 -1.274044596e-01 4.94 -1.952138012e-02 -7.946314174e-02 -1.183351558e-01 4.96 -1.795455450e-02 -7.346497782e-02 -1.094676285e-01 4.98 -1.645495106e-02 -6.763923330e-02 -1.008403455e-01 5.00 -1.502435524e-02 -6.201083413e-02 -9.249313354e-02 5.02 -1.366509975e-02 -5.660467036e-02 -8.446543122e-02 5.04 -1.237970041e-02 -5.144434742e-02 -7.679447353e-02 5.06 -1.117051443e-02 -4.655099556e-02 -6.951355520e-02 5.08 -1.003944328e-02 -4.194212512e-02 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-3.856919805e-03 -5.774086933e-03 5.46 -7.854237209e-04 -3.331173253e-03 -4.987025366e-03 5.48 -6.781051909e-04 -2.876276699e-03 -4.306016840e-03 5.50 -5.853562830e-04 -2.483055496e-03 -3.717333129e-03 5.52 -5.052577224e-04 -2.143408309e-03 -3.208850090e-03 5.54 -4.361239208e-04 -1.850213595e-03 -2.769907793e-03 5.56 -3.764799521e-04 -1.597235062e-03 -2.391173228e-03 5.58 -3.250392673e-04 -1.379029441e-03 -2.064497099e-03 5.60 -2.806826288e-04 -1.190858827e-03 -1.782786692e-03 5.62 -2.424385532e-04 -1.028608946e-03 -1.539882695e-03 5.64 -2.094654115e-04 -8.887141335e-04 -1.330446984e-03 5.66 -1.810352338e-04 -7.680892922e-04 -1.149860813e-03 5.68 -1.565191922e-04 -6.640687816e-04 -9.941333771e-04 5.70 -1.353746869e-04 -5.743519822e-04 -8.598203314e-04 5.72 -1.171339326e-04 -4.969551209e-04 -7.439516836e-04 5.74 -1.013939220e-04 -4.301688734e-04 -6.439683262e-04 5.76 -8.780764131e-05 -3.725212203e-04 -5.576664324e-04 5.78 -7.607640881e-05 -3.227450325e-04 -4.831489276e-04 5.80 -6.594321340e-05 -2.797498721e-04 -4.187832731e-04 5.82 -5.718693814e-05 -2.425975281e-04 -3.631648388e-04 5.84 -4.961736159e-05 -2.104808374e-04 -3.150851950e-04 5.86 -4.307084003e-05 -1.827053852e-04 -2.735047152e-04 5.88 -3.740658332e-05 -1.586737170e-04 -2.375289378e-04 5.90 -3.250344667e-05 -1.378717340e-04 -2.063881985e-04 5.92 -2.825716950e-05 -1.198569833e-04 -1.794200975e-04 5.94 -2.457800097e-05 -1.042485849e-04 -1.560544192e-04 5.96 -2.138865920e-05 -9.071857459e-05 -1.358001703e-04 5.98 -1.862257823e-05 -7.898446501e-05 -1.182344429e-04 6.00 -1.622240246e-05 -6.880285781e-05 -1.029928503e-04