# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-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 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 3.110625271e+04 nan nan 1.02 2.448042142e+04 nan nan 1.04 1.935117736e+04 nan nan 1.06 1.536135252e+04 nan nan 1.08 1.224348528e+04 nan nan 1.10 9.796199804e+03 2.507717805e+04 nan 1.12 7.867081489e+03 2.016078116e+04 2.689586971e+04 1.14 6.340190784e+03 1.626729877e+04 2.170718469e+04 1.16 5.126906341e+03 1.317160411e+04 1.758114093e+04 1.18 4.159170642e+03 1.070077598e+04 1.428747145e+04 1.20 3.384482701e+03 8.721391089e+03 1.164849844e+04 1.22 2.762164846e+03 7.130052824e+03 9.526522313e+03 1.24 2.260568275e+03 5.846295061e+03 7.814375453e+03 1.26 1.854968390e+03 4.807241746e+03 6.428312673e+03 1.28 1.525974924e+03 3.963567625e+03 5.302633559e+03 1.30 1.258322630e+03 3.276428894e+03 4.385596453e+03 1.32 1.039950224e+03 2.715123921e+03 3.636301737e+03 1.34 8.612942725e+02 2.255300061e+03 3.022304854e+03 1.36 7.147454313e+02 1.877572956e+03 2.517778385e+03 1.38 5.942292042e+02 1.566461659e+03 2.102094138e+03 1.40 4.948803356e+02 1.309562845e+03 1.758722967e+03 1.42 4.127903817e+02 1.096907157e+03 1.474378087e+03 1.44 3.448106075e+02 9.204569238e+02 1.238346727e+03 1.46 2.883965064e+02 7.737132825e+02 1.041966284e+03 1.48 2.414858693e+02 6.514066968e+02 8.782114430e+02 1.50 2.024030528e+02 5.492528471e+02 7.413689354e+02 1.52 1.697827232e+02 4.637585881e+02 6.267800971e+02 1.54 1.425093032e+02 3.920684088e+02 5.306360441e+02 1.56 1.196692127e+02 3.318420082e+02 4.498141495e+02 1.58 1.005127553e+02 2.811564930e+02 3.817485127e+02 1.60 8.442328948e+01 2.384285083e+02 3.243255297e+02 1.62 7.089215219e+01 2.023510206e+02 2.758001879e+02 1.64 5.949872770e+01 1.718421395e+02 2.347280851e+02 1.66 4.989470949e+01 1.460046537e+02 1.999112949e+02 1.68 4.179114054e+01 1.240930093e+02 1.703542515e+02 1.70 3.494781490e+01 1.054864156e+02 1.452278249e+02 1.72 2.916443445e+01 8.966703683e+01 1.238401879e+02 1.74 2.427371628e+01 7.620217115e+01 1.056126180e+02 1.76 2.013583588e+01 6.472945555e+01 9.006023388e+01 1.78 1.663374949e+01 5.494467930e+01 7.677612913e+01 1.80 1.366937190e+01 4.659212483e+01 6.541826868e+01 1.82 1.116034952e+01 3.945656642e+01 5.569872303e+01 1.84 9.037234851e+00 3.335645424e+01 4.737478026e+01 1.86 7.241392164e+00 2.813845959e+01 4.024118709e+01 1.88 5.723315140e+00 2.367296922e+01 3.412388853e+01 1.90 4.441198842e+00 1.985029506e+01 2.887534155e+01 1.92 3.359740400e+00 1.657751964e+01 2.437032036e+01 1.94 2.449073734e+00 1.377568279e+01 2.050225925e+01 1.96 1.683929846e+00 1.137743574e+01 1.718038054e+01 1.98 1.042845019e+00 9.325170770e+00 1.432741224e+01 2.00 5.074796132e-01 7.569716644e+00 1.187748482e+01 2.02 6.213447104e-02 6.069099115e+00 9.774239706e+00 2.04 -3.066029813e-01 4.787459910e+00 7.969360068e+00 2.06 -6.101767741e-01 3.694039544e+00 6.421456800e+00 2.08 -8.583506934e-01 2.762484675e+00 5.095055993e+00 2.10 -1.059451208e+00 1.970200188e+00 3.959732556e+00 2.12 -1.220571387e+00 1.297779906e+00 2.989273509e+00 2.14 -1.347742118e+00 7.285495518e-01 2.161083931e+00 2.16 -1.446095131e+00 2.481808813e-01 1.455724097e+00 2.18 -1.520068919e+00 -1.556346369e-01 8.564649943e-01 2.20 -1.573487592e+00 -4.934619562e-01 3.489150986e-01 2.22 -1.609634707e+00 -7.743961260e-01 -7.934110337e-02 2.24 -1.631336581e+00 -1.006397060e+00 -4.391660732e-01 2.26 -1.641011977e+00 -1.196363816e+00 -7.399991231e-01 2.28 -1.640705718e+00 -1.350246557e+00 -9.900146782e-01 2.30 -1.632141327e+00 -1.473177815e+00 -1.196291591e+00 2.32 -1.616769787e+00 -1.569578372e+00 -1.364952691e+00 2.34 -1.595796010e+00 -1.643247918e+00 -1.501263841e+00 2.36 -1.570239159e+00 -1.697496654e+00 -1.609778269e+00 2.38 -1.540982163e+00 -1.735258272e+00 -1.694452069e+00 2.40 -1.508757725e+00 -1.759080426e+00 -1.758704413e+00 2.42 -1.474162460e+00 -1.771166789e+00 -1.805481482e+00 2.44 -1.437701876e+00 -1.773418918e+00 -1.837312522e+00 2.46 -1.399810913e+00 -1.767471981e+00 -1.856357659e+00 2.48 -1.360881441e+00 -1.754725205e+00 -1.864448635e+00 2.50 -1.321288157e+00 -1.736367801e+00 -1.863124252e+00 2.52 -1.281355034e+00 -1.713400997e+00 -1.853740807e+00 2.54 -1.241359725e+00 -1.686656716e+00 -1.837587594e+00 2.56 -1.201539578e+00 -1.656813498e+00 -1.815799322e+00 2.58 -1.162096678e+00 -1.624441447e+00 -1.789362533e+00 2.60 -1.123199377e+00 -1.590059894e+00 -1.759128174e+00 2.62 -1.084983986e+00 -1.554093604e+00 -1.725823391e+00 2.64 -1.047563248e+00 -1.516891557e+00 -1.690075903e+00 2.66 -1.011029394e+00 -1.478797227e+00 -1.652426698e+00 2.68 -9.754560729e-01 -1.440124030e+00 -1.613339747e+00 2.70 -9.408999052e-01 -1.401138577e+00 -1.573210416e+00 2.72 -9.074016972e-01 -1.362052162e+00 -1.532383355e+00 2.74 -8.749873717e-01 -1.323029877e+00 -1.491170015e+00 2.76 -8.436685346e-01 -1.284210200e+00 -1.449839188e+00 2.78 -8.134376359e-01 -1.245708999e+00 -1.408619774e+00 2.80 -7.842670746e-01 -1.207622425e+00 -1.367704742e+00 2.82 -7.561175773e-01 -1.170029358e+00 -1.327254455e+00 2.84 -7.289457446e-01 -1.132993447e+00 -1.287399480e+00 2.86 -7.027108550e-01 -1.096564819e+00 -1.248242925e+00 2.88 -6.773634003e-01 -1.060786042e+00 -1.209862367e+00 2.90 -6.528478645e-01 -1.025703358e+00 -1.172311427e+00 2.92 -6.291294436e-01 -9.913586707e-01 -1.135621040e+00 2.94 -6.061787193e-01 -9.577882328e-01 -1.099800443e+00 2.96 -5.839651095e-01 -9.250233957e-01 -1.064838814e+00 2.98 -5.624642770e-01 -8.930911983e-01 -1.030736821e+00 3.00 -5.416606367e-01 -8.620148260e-01 -9.975128776e-01 3.02 -5.215391947e-01 -8.318139510e-01 -9.651689818e-01 3.04 -5.020861245e-01 -8.025049713e-01 -9.337027939e-01 3.06 -4.832887293e-01 -7.741011597e-01 -9.031093482e-01 3.08 -4.651352678e-01 -7.466127335e-01 -8.733814234e-01 3.10 -4.476147566e-01 -7.200468567e-01 -8.445098178e-01 3.12 -4.307167537e-01 -6.944075813e-01 -8.164835400e-01 3.14 -4.144311240e-01 -6.696957355e-01 -7.892899255e-01 3.16 -3.987477908e-01 -6.459087148e-01 -7.629146890e-01 3.18 -3.836564741e-01 -6.230368890e-01 -7.373419186e-01 3.20 -3.691464177e-01 -6.010618897e-01 -7.125540201e-01 3.22 -3.552061070e-01 -5.799620722e-01 -6.885316176e-01 3.24 -3.418229789e-01 -5.597127181e-01 -6.652534145e-01 3.26 -3.289831240e-01 -5.402856553e-01 -6.426960212e-01 3.28 -3.166709829e-01 -5.216488562e-01 -6.208337518e-01 3.30 -3.048690379e-01 -5.037660178e-01 -5.996383960e-01 3.32 -2.935596778e-01 -4.865990275e-01 -5.790833226e-01 3.34 -2.827320506e-01 -4.701170653e-01 -5.591575467e-01 3.36 -2.723763647e-01 -4.542889725e-01 -5.398546810e-01 3.38 -2.624816425e-01 -4.390802148e-01 -5.211687839e-01 3.40 -2.530354967e-01 -4.244525324e-01 -5.030942414e-01 3.42 -2.440239049e-01 -4.103635825e-01 -4.856256386e-01 3.44 -2.354309823e-01 -3.967665743e-01 -4.687576194e-01 3.46 -2.272387533e-01 -3.836120966e-01 -4.524847380e-01 3.48 -2.194269219e-01 -3.708726555e-01 -4.368013018e-01 3.50 -2.119726418e-01 -3.585372686e-01 -4.217012067e-01 3.52 -2.048502853e-01 -3.465960003e-01 -4.071777677e-01 3.54 -1.980319775e-01 -3.350396193e-01 -3.932235426e-01 3.56 -1.914982060e-01 -3.238595323e-01 -3.798301519e-01 3.58 -1.852366190e-01 -3.130477142e-01 -3.669880945e-01 3.60 -1.792343269e-01 -3.025966363e-01 -3.546865598e-01 3.62 -1.734776119e-01 -2.924991931e-01 -3.429132367e-01 3.64 -1.679518372e-01 -2.827486263e-01 -3.316541202e-01 3.66 -1.626413556e-01 -2.733384482e-01 -3.208929010e-01 3.68 -1.575308110e-01 -2.642623640e-01 -3.106091883e-01 3.70 -1.526105419e-01 -2.555141927e-01 -3.007799837e-01 3.72 -1.478726817e-01 -2.470877873e-01 -2.913801775e-01 3.74 -1.433093610e-01 -2.389769544e-01 -2.823823315e-01 3.76 -1.389126794e-01 -2.311753734e-01 -2.737564605e-01 3.78 -1.346746777e-01 -2.236765150e-01 -2.654698129e-01 3.80 -1.305873102e-01 -2.164735598e-01 -2.574866505e-01 3.82 -1.266424706e-01 -2.095593161e-01 -2.497686187e-01 3.84 -1.228333516e-01 -2.029261379e-01 -2.422898795e-01 3.86 -1.191547443e-01 -1.965658431e-01 -2.350405113e-01 3.88 -1.156017168e-01 -1.904696309e-01 -2.280119337e-01 3.90 -1.121695354e-01 -1.846279998e-01 -2.211961039e-01 3.92 -1.088536566e-01 -1.790306657e-01 -2.145854911e-01 3.94 -1.056497192e-01 -1.736664794e-01 -2.081730514e-01 3.96 -1.025535373e-01 -1.685233449e-01 -2.019522027e-01 3.98 -9.956109239e-02 -1.635881379e-01 -1.959167988e-01 4.00 -9.666852733e-02 -1.588466235e-01 -1.900611044e-01 4.02 -9.387213909e-02 -1.542833752e-01 -1.843797695e-01 4.04 -9.116837261e-02 -1.498816936e-01 -1.788678043e-01 4.06 -8.855381466e-02 -1.456253376e-01 -1.735205540e-01 4.08 -8.602518795e-02 -1.415064315e-01 -1.683336737e-01 4.10 -8.357934547e-02 -1.375200956e-01 -1.633031035e-01 4.12 -8.121326512e-02 -1.336616341e-01 -1.584250435e-01 4.14 -7.892404450e-02 -1.299265273e-01 -1.536959295e-01 4.16 -7.670889591e-02 -1.263104251e-01 -1.491124083e-01 4.18 -7.456514162e-02 -1.228091405e-01 -1.446713133e-01 4.20 -7.249020928e-02 -1.194186434e-01 -1.403696405e-01 4.22 -7.048148315e-02 -1.161350546e-01 -1.362045246e-01 4.24 -6.853524571e-02 -1.129546406e-01 -1.321732149e-01 4.26 -6.664741456e-02 -1.098738073e-01 -1.282730520e-01 4.28 -6.481420009e-02 -1.068890950e-01 -1.245014438e-01 4.30 -6.303209977e-02 -1.039971734e-01 -1.208558431e-01 4.32 -6.129788723e-02 -1.011948364e-01 -1.173337237e-01 4.34 -5.960860144e-02 -9.847899721e-02 -1.139325577e-01 4.36 -5.796153599e-02 -9.584668407e-02 -1.106497930e-01 4.38 -5.635422843e-02 -9.329503555e-02 -1.074828304e-01 4.40 -5.478444976e-02 -9.082129636e-02 -1.044290012e-01 4.42 -5.325019396e-02 -8.842281322e-02 -1.014855449e-01 4.44 -5.174966760e-02 -8.609703092e-02 -9.864958726e-02 4.46 -5.028127956e-02 -8.384148849e-02 -9.591811820e-02 4.48 -4.884363079e-02 -8.165352618e-02 -9.328796993e-02 4.50 -4.743550415e-02 -7.952946726e-02 -9.075579530e-02 4.52 -4.605585436e-02 -7.746558617e-02 -8.831804632e-02 4.54 -4.470379794e-02 -7.545840692e-02 -8.597095265e-02 4.56 -4.337860332e-02 -7.350469429e-02 -8.371050039e-02 4.58 -4.207968087e-02 -7.160144520e-02 -8.153241092e-02 4.60 -4.080657312e-02 -6.974588013e-02 -7.943211982e-02 4.62 -3.955885712e-02 -6.793543464e-02 -7.740475604e-02 4.64 -3.833529826e-02 -6.616775092e-02 -7.544512101e-02 4.66 -3.713430677e-02 -6.444066947e-02 -7.354766804e-02 4.68 -3.595453196e-02 -6.275222080e-02 -7.170669370e-02 4.70 -3.479485646e-02 -6.110061725e-02 -6.991876831e-02 4.72 -3.365438183e-02 -5.948424484e-02 -6.818214977e-02 4.74 -3.253241403e-02 -5.790165518e-02 -6.649518673e-02 4.76 -3.142844902e-02 -5.635155747e-02 -6.485628609e-02 4.78 -3.034215833e-02 -5.483281053e-02 -6.326391075e-02 4.80 -2.927337463e-02 -5.334441491e-02 -6.171657753e-02 4.82 -2.822207731e-02 -5.188550505e-02 -6.021285515e-02 4.84 -2.718837810e-02 -5.045534147e-02 -5.875136227e-02 4.86 -2.617250666e-02 -4.905330305e-02 -5.733076564e-02 4.88 -2.517479622e-02 -4.767887930e-02 -5.594977828e-02 4.90 -2.419566919e-02 -4.633166276e-02 -5.460715777e-02 4.92 -2.323562278e-02 -4.501134136e-02 -5.330170458e-02 4.94 -2.229521470e-02 -4.371769087e-02 -5.203226048e-02 4.96 -2.137504873e-02 -4.245056740e-02 -5.079770701e-02 4.98 -2.047576044e-02 -4.120989991e-02 -4.959696401e-02 5.00 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