# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Castin-N-Malerba-L--Fe-Cu-Ni # implementation = 2009--Bonny-G--Fe-Cu-Ni--LAMMPS--ipr1 # composition = FeNi3 # 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 2022-05-24 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 3.493011187e+02 nan nan 0.92 3.169017533e+02 nan nan 0.94 2.877002640e+02 nan nan 0.96 2.612223540e+02 nan nan 0.98 2.371141098e+02 nan nan 1.00 2.151675853e+02 3.216601936e+02 3.694368813e+02 1.02 1.952402846e+02 2.942196057e+02 3.377410308e+02 1.04 1.771762670e+02 2.692344673e+02 3.086517924e+02 1.06 1.608322558e+02 2.464675181e+02 2.820500700e+02 1.08 1.460404419e+02 2.256852088e+02 2.578107161e+02 1.10 1.326448909e+02 2.066759647e+02 2.357779691e+02 1.12 1.205143651e+02 1.892637477e+02 2.158025800e+02 1.14 1.095122340e+02 1.732911260e+02 1.976826310e+02 1.16 9.950684219e+01 1.585775280e+02 1.812207732e+02 1.18 9.037982927e+01 1.450211228e+02 1.662370829e+02 1.20 8.203624559e+01 1.325686025e+02 1.525771881e+02 1.22 7.438582463e+01 1.211564275e+02 1.400895829e+02 1.24 6.735911343e+01 1.107150649e+02 1.286259536e+02 1.26 6.091292636e+01 1.011406356e+02 1.180557610e+02 1.28 5.501063556e+01 9.235123343e+01 1.082587733e+02 1.30 4.961578228e+01 8.427007892e+01 9.915290878e+01 1.32 4.469806812e+01 7.681897972e+01 9.069637156e+01 1.34 4.023035909e+01 6.995376633e+01 8.286022974e+01 1.36 3.617257101e+01 6.363390224e+01 7.564469860e+01 1.38 3.248681593e+01 5.781234308e+01 6.902279369e+01 1.40 2.913968836e+01 5.244864963e+01 6.295274775e+01 1.42 2.610670860e+01 4.751916189e+01 5.739109699e+01 1.44 2.337370276e+01 4.300303954e+01 5.227709447e+01 1.46 2.092338850e+01 3.887146958e+01 4.756431292e+01 1.48 1.873722720e+01 3.509861503e+01 4.322782890e+01 1.50 1.679761909e+01 3.166281402e+01 3.924349716e+01 1.52 1.508486249e+01 2.854044449e+01 3.558962221e+01 1.54 1.357819245e+01 2.571241555e+01 3.225350401e+01 1.56 1.225618247e+01 2.316104983e+01 2.921469956e+01 1.58 1.110832337e+01 2.086731087e+01 2.644988434e+01 1.60 9.692578732e+00 1.881210895e+01 2.393664637e+01 1.62 8.279827113e+00 1.698392181e+01 2.166133188e+01 1.64 6.989153532e+00 1.536874576e+01 1.960780977e+01 1.66 5.809541748e+00 1.394932519e+01 1.775758338e+01 1.68 4.723688647e+00 1.270847010e+01 1.609415008e+01 1.70 3.727726357e+00 1.162535871e+01 1.460188223e+01 1.72 2.822049885e+00 1.064800336e+01 1.326792486e+01 1.74 2.005015069e+00 9.513542560e+00 1.208044186e+01 1.76 1.274166339e+00 8.293635098e+00 1.102699402e+01 1.78 6.271352581e-01 7.163978463e+00 1.000710093e+01 1.80 5.649307082e-02 6.116394938e+00 8.691539626e+00 1.82 -4.444097393e-01 5.137191013e+00 7.471537683e+00 1.84 -8.821345130e-01 4.219655623e+00 6.352319883e+00 1.86 -1.263421021e+00 3.360395243e+00 5.326873805e+00 1.88 -1.595580670e+00 2.558450729e+00 4.384043120e+00 1.90 -1.886818891e+00 1.810885690e+00 3.520824394e+00 1.92 -2.145466709e+00 1.114999656e+00 2.733238751e+00 1.94 -2.380239971e+00 4.717271852e-01 2.016390547e+00 1.96 -2.602203947e+00 -1.191954476e-01 1.365158251e+00 1.98 -2.818954670e+00 -6.577359734e-01 7.753724619e-01 2.00 -3.031388012e+00 -1.143912998e+00 2.411961295e-01 2.02 -3.236062067e+00 -1.578305117e+00 -2.436766716e-01 2.04 -3.429573585e+00 -1.962097376e+00 -6.841448164e-01 2.06 -3.608242999e+00 -2.297002787e+00 -1.083907730e+00 2.08 -3.768197683e+00 -2.586356007e+00 -1.446560890e+00 2.10 -3.906174753e+00 -2.833271595e+00 -1.775786855e+00 2.12 -4.019592303e+00 -3.043371141e+00 -2.075277484e+00 2.14 -4.109142653e+00 -3.224015598e+00 -2.348750784e+00 2.16 -4.176635558e+00 -3.380772161e+00 -2.599339212e+00 2.18 -4.224577806e+00 -3.519045800e+00 -2.832028754e+00 2.20 -4.255188599e+00 -3.643462326e+00 -3.052129455e+00 2.22 -4.270908131e+00 -3.757443085e+00 -3.262709421e+00 2.24 -4.274397415e+00 -3.861237575e+00 -3.462135196e+00 2.26 -4.268027980e+00 -3.954319127e+00 -3.647774991e+00 2.28 -4.252672050e+00 -4.036055411e+00 -3.817330595e+00 2.30 -4.228980414e+00 -4.105876430e+00 -3.968608895e+00 2.32 -4.197595641e+00 -4.163330332e+00 -4.099504799e+00 2.34 -4.159148353e+00 -4.208029116e+00 -4.208511981e+00 2.36 -4.114255442e+00 -4.240048935e+00 -4.294649412e+00 2.38 -4.063525267e+00 -4.260430544e+00 -4.358567610e+00 2.40 -4.007532255e+00 -4.270472123e+00 -4.402623831e+00 2.42 -3.946405015e+00 -4.271168319e+00 -4.428800686e+00 2.44 -3.880373272e+00 -4.263684242e+00 -4.439973283e+00 2.46 -3.809691499e+00 -4.249313286e+00 -4.438639336e+00 2.48 -3.735977726e+00 -4.229364159e+00 -4.427235209e+00 2.50 -3.661388581e+00 -4.205163057e+00 -4.408168650e+00 2.52 -3.586524237e+00 -4.177274775e+00 -4.383537032e+00 2.54 -3.511779285e+00 -4.145266977e+00 -4.354236264e+00 2.56 -3.437535880e+00 -4.109179352e+00 -4.320857335e+00 2.58 -3.363350968e+00 -4.069028692e+00 -4.283985057e+00 2.60 -3.288638682e+00 -4.024774126e+00 -4.244197567e+00 2.62 -3.213578607e+00 -3.976294223e+00 -4.201931608e+00 2.64 -3.138343396e+00 -3.923496216e+00 -4.157241506e+00 2.66 -3.063098191e+00 -3.866351470e+00 -4.110163293e+00 2.68 -2.987966826e+00 -3.805247568e+00 -4.060731989e+00 2.70 -2.913063411e+00 -3.740690924e+00 -4.008969350e+00 2.72 -2.838447128e+00 -3.673977801e+00 -3.954878048e+00 2.74 -2.764147252e+00 -3.605763147e+00 -3.898435877e+00 2.76 -2.690190553e+00 -3.536313910e+00 -3.839588818e+00 2.78 -2.616595747e+00 -3.465893663e+00 -3.778732519e+00 2.80 -2.543410294e+00 -3.394762618e+00 -3.716420254e+00 2.82 -2.470732410e+00 -3.323181201e+00 -3.652702511e+00 2.84 -2.398655355e+00 -3.251410921e+00 -3.587644128e+00 2.86 -2.327261296e+00 -3.179714714e+00 -3.521305892e+00 2.88 -2.256620366e+00 -3.108357622e+00 -3.453744035e+00 2.90 -2.186789658e+00 -3.037602762e+00 -3.385019093e+00 2.92 -2.117811304e+00 -2.967715999e+00 -3.315293280e+00 2.94 -2.049711016e+00 -2.898902994e+00 -3.244793145e+00 2.96 -1.982495062e+00 -2.830639246e+00 -3.173741138e+00 2.98 -1.916420151e+00 -2.762869513e+00 -3.102353857e+00 3.00 -1.852068822e+00 -2.695740050e+00 -3.030833082e+00 3.02 -1.789532229e+00 -2.629382676e+00 -2.959354699e+00 3.04 -1.728881406e+00 -2.563890494e+00 -2.888042880e+00 3.06 -1.670183139e+00 -2.499312745e+00 -2.817005265e+00 3.08 -1.613496770e+00 -2.435657764e+00 -2.746344618e+00 3.10 -1.558874912e+00 -2.372924462e+00 -2.676158715e+00 3.12 -1.506366704e+00 -2.311103656e+00 -2.606540313e+00 3.14 -1.456015910e+00 -2.250177506e+00 -2.537577221e+00 3.16 -1.407808115e+00 -2.190118830e+00 -2.469351935e+00 3.18 -1.361667130e+00 -2.130889954e+00 -2.401941807e+00 3.20 -1.317511296e+00 -2.072441553e+00 -2.335413994e+00 3.22 -1.275256261e+00 -2.014727529e+00 -2.269820481e+00 3.24 -1.234815212e+00 -1.957880167e+00 -2.205205955e+00 3.26 -1.196099081e+00 -1.902253048e+00 -2.141608476e+00 3.28 -1.159016632e+00 -1.847895532e+00 -2.079059070e+00 3.30 -1.123474483e+00 -1.794794835e+00 -2.017581062e+00 3.32 -1.089377556e+00 -1.742934984e+00 -1.957191145e+00 3.34 -1.056628721e+00 -1.692296986e+00 -1.898292022e+00 3.36 -1.025129163e+00 -1.642858998e+00 -1.841224806e+00 3.38 -9.947785389e-01 -1.594596447e+00 -1.786072532e+00 3.40 -9.654748614e-01 -1.547482101e+00 -1.732803566e+00 3.42 -9.371147434e-01 -1.501486215e+00 -1.681112346e+00 3.44 -9.095934666e-01 -1.456576702e+00 -1.631010490e+00 3.46 -8.828053331e-01 -1.412719201e+00 -1.582534257e+00 3.48 -8.566428981e-01 -1.369884060e+00 -1.535717851e+00 3.50 -8.309986959e-01 -1.328090958e+00 -1.490593506e+00 3.52 -8.057628398e-01 -1.287371589e+00 -1.447177289e+00 3.54 -7.808269451e-01 -1.247717985e+00 -1.405426778e+00 3.56 -7.560802140e-01 -1.209110999e+00 -1.365283594e+00 3.58 -7.314111725e-01 -1.171529691e+00 -1.326687721e+00 3.60 -7.067428231e-01 -1.134951706e+00 -1.289577481e+00 3.62 -6.820948952e-01 -1.099352899e+00 -1.253889685e+00 3.64 -6.575040070e-01 -1.064707816e+00 -1.219559620e+00 3.66 -6.330066849e-01 -1.030992690e+00 -1.186521106e+00 3.68 -6.086398582e-01 -9.981911412e-01 -1.154706564e+00 3.70 -5.844410224e-01 -9.662875812e-01 -1.124047131e+00 3.72 -5.604469876e-01 -9.352657070e-01 -1.094472625e+00 3.74 -5.366961158e-01 -9.051089950e-01 -1.065911628e+00 3.76 -5.132300014e-01 -8.758005023e-01 -1.038291372e+00 3.78 -4.900924207e-01 -8.473224721e-01 -1.011538387e+00 3.80 -4.673663418e-01 -8.196580731e-01 -9.855783282e-01 3.82 -4.451228319e-01 -7.927893102e-01 -9.603356448e-01 3.84 -4.234633591e-01 -7.666985914e-01 -9.357337172e-01 3.86 -4.024586632e-01 -7.413689913e-01 -9.116948093e-01 3.88 -3.822335407e-01 -7.167832083e-01 -8.881402276e-01 3.90 -3.628704565e-01 -6.929245752e-01 -8.649898540e-01 3.92 -3.443812572e-01 -6.697660693e-01 -8.421634196e-01 3.94 -3.262801719e-01 -6.472522475e-01 -8.195785921e-01 3.96 -3.085009357e-01 -6.253241824e-01 -7.971524106e-01 3.98 -2.910606291e-01 -6.039239539e-01 -7.748015069e-01 4.00 -2.740327497e-01 -5.829952312e-01 -7.524411745e-01 4.02 -2.575202049e-01 -5.624978437e-01 -7.300032235e-01 4.04 -2.415436366e-01 -5.424380517e-01 -7.074894775e-01 4.06 -2.260280315e-01 -5.228363062e-01 -6.849184404e-01 4.08 -2.109305067e-01 -5.037252412e-01 -6.623075580e-01 4.10 -1.962687561e-01 -4.851219629e-01 -6.396731774e-01 4.12 -1.819283340e-01 -4.670756267e-01 -6.170310706e-01 4.14 -1.682676396e-01 -4.496106697e-01 -5.943958416e-01 4.16 -1.559816221e-01 -4.326700124e-01 -5.717797075e-01 4.18 -1.417658453e-01 -4.159093989e-01 -5.491957427e-01 4.20 -1.243654823e-01 -3.992450139e-01 -5.266545430e-01 4.22 -1.072672792e-01 -3.826849442e-01 -5.041654409e-01 4.24 -9.327341734e-02 -3.662900104e-01 -4.817649603e-01 4.26 -8.311221008e-02 -3.499993484e-01 -4.594740290e-01 4.28 -7.665599164e-02 -3.337797592e-01 -4.373388342e-01 4.30 -7.265260717e-02 -3.177034500e-01 -4.153764386e-01 4.32 -6.896000090e-02 -3.018099103e-01 -3.936391118e-01 4.34 -6.550645050e-02 -2.860320039e-01 -3.721297266e-01 4.36 -6.227413458e-02 -2.703730417e-01 -3.509303120e-01 4.38 -5.924481590e-02 -2.548547153e-01 -3.299929186e-01 4.40 -5.639990889e-02 -2.395718056e-01 -3.094984337e-01 4.42 -5.372054535e-02 -2.245145023e-01 -2.893390373e-01 4.44 -5.118763458e-02 -2.097066678e-01 -2.694988147e-01 4.46 -4.878192210e-02 -1.952466224e-01 -2.501895795e-01 4.48 -4.648429930e-02 -1.811101756e-01 -2.312588942e-01 4.50 -4.428588161e-02 -1.673205534e-01 -2.127071121e-01 4.52 -4.218621678e-02 -1.539417566e-01 -1.946560203e-01 4.54 -4.018351155e-02 -1.409979049e-01 -1.771587648e-01 4.56 -3.829194365e-02 -1.284150436e-01 -1.602630156e-01 4.58 -3.652361014e-02 -1.163357198e-01 -1.440025515e-01 4.60 -3.488832369e-02 -1.053791581e-01 -1.283671831e-01 4.62 -3.339414987e-02 -9.523616004e-02 -1.134067058e-01 4.64 -3.204788382e-02 -8.431408868e-02 -1.001422133e-01 4.66 -3.085547563e-02 -7.193927481e-02 -8.741194381e-02 4.68 -2.982241022e-02 -5.891014055e-02 -7.282204548e-02 4.70 -2.895404928e-02 -4.698910394e-02 -5.676334964e-02 4.72 -2.825593846e-02 -3.716289839e-02 -4.229316116e-02 4.74 -2.773408266e-02 -2.981741582e-02 -3.116002293e-02 4.76 -2.739519222e-02 -2.500142706e-02 -2.384963766e-02 4.78 -2.724689619e-02 -2.263872655e-02 -2.028870413e-02 4.80 -2.726658873e-02 -2.234692191e-02 -1.985080166e-02 4.82 -2.729730094e-02 -2.238869067e-02 -1.991345480e-02 4.84 -2.731783441e-02 -2.250482438e-02 -2.008765537e-02 4.86 -2.733023822e-02 -2.268434508e-02 -2.035693641e-02 4.88 -2.733656144e-02 -2.291627481e-02 -2.070483101e-02 4.90 -2.733885315e-02 -2.318963563e-02 -2.111487223e-02 4.92 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