# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Mendelev-M-I--Fe-Ni-Cr # implementation = EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 # composition = CrNi3 # 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 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 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 3.391296566e+01 nan nan 1.70 2.590405579e+01 nan nan 1.72 1.959063777e+01 nan nan 1.74 1.461130717e+01 nan nan 1.76 1.068542395e+01 nan nan 1.78 7.590865056e+00 nan nan 1.80 5.156588415e+00 nan nan 1.82 3.273448795e+00 3.890847507e+01 nan 1.84 1.814161760e+00 3.050069310e+01 nan 1.86 6.765486112e-01 2.374989838e+01 nan 1.88 -2.168511983e-01 1.832767563e+01 3.500195567e+01 1.90 -9.244819514e-01 1.396841999e+01 2.744231623e+01 1.92 -1.490244273e+00 1.045857632e+01 2.132595363e+01 1.94 -1.947094969e+00 7.626878585e+00 1.638050488e+01 1.96 -2.320075650e+00 5.338128857e+00 1.238456890e+01 1.98 -2.628530597e+00 3.485848115e+00 9.157518435e+00 2.00 -2.887075604e+00 1.985670715e+00 6.552348211e+00 2.02 -3.106657408e+00 7.858561192e-01 4.473247679e+00 2.04 -3.295455436e+00 -1.601952665e-01 2.834561286e+00 2.06 -3.459507119e+00 -9.061422008e-01 1.542748019e+00 2.08 -3.603395742e+00 -1.495078996e+00 5.230889807e-01 2.10 -3.730916427e+00 -1.961912225e+00 -2.838579779e-01 2.12 -3.846448989e+00 -2.337240821e+00 -9.291494237e-01 2.14 -3.952494193e+00 -2.645051884e+00 -1.453109463e+00 2.16 -4.048716691e+00 -2.901751579e+00 -1.884574373e+00 2.18 -4.133805524e+00 -3.119873814e+00 -2.246298549e+00 2.20 -4.202294115e+00 -3.308734889e+00 -2.554629258e+00 2.22 -4.241874746e+00 -3.474999426e+00 -2.820796540e+00 2.24 -4.258908061e+00 -3.623177627e+00 -3.052428495e+00 2.26 -4.275151768e+00 -3.756081023e+00 -3.254800420e+00 2.28 -4.290860132e+00 -3.875252392e+00 -3.431813096e+00 2.30 -4.294548235e+00 -3.981374651e+00 -3.586529476e+00 2.32 -4.280704383e+00 -4.074653100e+00 -3.721254841e+00 2.34 -4.249727792e+00 -4.155149921e+00 -3.837796275e+00 2.36 -4.205868005e+00 -4.222952642e+00 -3.937751535e+00 2.38 -4.154513505e+00 -4.277982873e+00 -4.022750224e+00 2.40 -4.100811651e+00 -4.316385842e+00 -4.094666950e+00 2.42 -4.049290085e+00 -4.329973951e+00 -4.155755985e+00 2.44 -4.002080067e+00 -4.324506352e+00 -4.208112785e+00 2.46 -3.958713021e+00 -4.317941230e+00 -4.251809530e+00 2.48 -3.917392539e+00 -4.314278803e+00 -4.280300124e+00 2.50 -3.876311380e+00 -4.305530398e+00 -4.289317982e+00 2.52 -3.834270955e+00 -4.286534439e+00 -4.292029354e+00 2.54 -3.790596619e+00 -4.256893314e+00 -4.301462775e+00 2.56 -3.745149615e+00 -4.218805357e+00 -4.313810961e+00 2.58 -3.698114124e+00 -4.175590937e+00 -4.320067282e+00 2.60 -3.649884353e+00 -4.130345371e+00 -4.315308621e+00 2.62 -3.600944483e+00 -4.085658221e+00 -4.298287930e+00 2.64 -3.551795156e+00 -4.043347070e+00 -4.270471866e+00 2.66 -3.502901135e+00 -4.003503616e+00 -4.234808550e+00 2.68 -3.454779200e+00 -3.964869836e+00 -4.194326569e+00 2.70 -3.407875314e+00 -3.925664650e+00 -4.151920641e+00 2.72 -3.362339400e+00 -3.884450414e+00 -4.109615077e+00 2.74 -3.318106488e+00 -3.840629875e+00 -4.067893539e+00 2.76 -3.275069911e+00 -3.794278557e+00 -4.026360567e+00 2.78 -3.233208399e+00 -3.745923071e+00 -3.984581332e+00 2.80 -3.192599694e+00 -3.696227417e+00 -3.942734165e+00 2.82 -3.153201929e+00 -3.645775820e+00 -3.901085550e+00 2.84 -3.114835091e+00 -3.595081977e+00 -3.859764387e+00 2.86 -3.077259359e+00 -3.544643441e+00 -3.818853794e+00 2.88 -3.040233126e+00 -3.494927717e+00 -3.778294045e+00 2.90 -3.003557188e+00 -3.446343698e+00 -3.737878530e+00 2.92 -2.967103256e+00 -3.399280137e+00 -3.697336895e+00 2.94 -2.930828124e+00 -3.354173867e+00 -3.656405005e+00 2.96 -2.894775810e+00 -3.311557419e+00 -3.614855772e+00 2.98 -2.859069680e+00 -3.271821851e+00 -3.572501905e+00 3.00 -2.823896326e+00 -3.235037180e+00 -3.529229368e+00 3.02 -2.789481767e+00 -3.201036982e+00 -3.485020310e+00 3.04 -2.756054053e+00 -3.169485820e+00 -3.439940216e+00 3.06 -2.723806318e+00 -3.139937426e+00 -3.394120080e+00 3.08 -2.692872589e+00 -3.111900832e+00 -3.347768888e+00 3.10 -2.663309845e+00 -3.084899187e+00 -3.301164275e+00 3.12 -2.635087409e+00 -3.058515935e+00 -3.254626192e+00 3.14 -2.608085527e+00 -3.032429860e+00 -3.208491000e+00 3.16 -2.582104900e+00 -3.006427102e+00 -3.163087671e+00 3.18 -2.556888766e+00 -2.980357356e+00 -3.118716941e+00 3.20 -2.532159034e+00 -2.954111529e+00 -3.075632577e+00 3.22 -2.507666820e+00 -2.927621616e+00 -3.034026443e+00 3.24 -2.483218708e+00 -2.900858513e+00 -2.994021710e+00 3.26 -2.458638939e+00 -2.873827649e+00 -2.955671699e+00 3.28 -2.433764967e+00 -2.846563062e+00 -2.918963917e+00 3.30 -2.408455277e+00 -2.819120483e+00 -2.883829307e+00 3.32 -2.382592348e+00 -2.791569934e+00 -2.850156633e+00 3.34 -2.356078496e+00 -2.763988293e+00 -2.817811717e+00 3.36 -2.328829052e+00 -2.736452199e+00 -2.786661085e+00 3.38 -2.300777743e+00 -2.709031636e+00 -2.756599448e+00 3.40 -2.271882163e+00 -2.681784467e+00 -2.727580174e+00 3.42 -2.242124909e+00 -2.654752116e+00 -2.699624631e+00 3.44 -2.211510981e+00 -2.627956556e+00 -2.672740891e+00 3.46 -2.180060370e+00 -2.601398695e+00 -2.646897454e+00 3.48 -2.147795208e+00 -2.575058194e+00 -2.622048981e+00 3.50 -2.114733932e+00 -2.548894674e+00 -2.598135085e+00 3.52 -2.080900461e+00 -2.522850249e+00 -2.575061051e+00 3.54 -2.046326101e+00 -2.496853224e+00 -2.552705033e+00 3.56 -2.011049207e+00 -2.470822756e+00 -2.530928711e+00 3.58 -1.975114739e+00 -2.444674213e+00 -2.509586048e+00 3.60 -1.938573753e+00 -2.418324915e+00 -2.488530341e+00 3.62 -1.901482817e+00 -2.391699865e+00 -2.467619739e+00 3.64 -1.863903373e+00 -2.364737034e+00 -2.446721415e+00 3.66 -1.825901050e+00 -2.337391701e+00 -2.425714555e+00 3.68 -1.787544942e+00 -2.309639270e+00 -2.404492322e+00 3.70 -1.748906865e+00 -2.281473817e+00 -2.382962939e+00 3.72 -1.710060607e+00 -2.252896161e+00 -2.361050035e+00 3.74 -1.671081188e+00 -2.223907483e+00 -2.338692388e+00 3.76 -1.632044141e+00 -2.194508970e+00 -2.315843175e+00 3.78 -1.593024843e+00 -2.164701696e+00 -2.292468846e+00 3.80 -1.554097898e+00 -2.134486524e+00 -2.268547734e+00 3.82 -1.515336614e+00 -2.103864052e+00 -2.244068479e+00 3.84 -1.476812571e+00 -2.072834620e+00 -2.219028362e+00 3.86 -1.438595319e+00 -2.041398378e+00 -2.193431618e+00 3.88 -1.400752230e+00 -2.009555438e+00 -2.167287800e+00 3.90 -1.363348508e+00 -1.977306129e+00 -2.140610248e+00 3.92 -1.326447413e+00 -1.944651367e+00 -2.113414711e+00 3.94 -1.290110067e+00 -1.911593157e+00 -2.085718159e+00 3.96 -1.254389702e+00 -1.878135245e+00 -2.057537829e+00 3.98 -1.219325695e+00 -1.844283950e+00 -2.028890496e+00 4.00 -1.184942726e+00 -1.810049182e+00 -1.999792021e+00 4.02 -1.151250904e+00 -1.775445668e+00 -1.970257138e+00 4.04 -1.118246386e+00 -1.740494427e+00 -1.940299508e+00 4.06 -1.085912496e+00 -1.705224492e+00 -1.909932000e+00 4.08 -1.054221313e+00 -1.669674917e+00 -1.879167188e+00 4.10 -1.023135730e+00 -1.633897099e+00 -1.848018024e+00 4.12 -9.926119595e-01 -1.597957417e+00 -1.816498647e+00 4.14 -9.626024993e-01 -1.561940252e+00 -1.784625279e+00 4.16 -9.330595415e-01 -1.525951371e+00 -1.752417137e+00 4.18 -9.039388330e-01 -1.490116676e+00 -1.719897299e+00 4.20 -8.752039962e-01 -1.454550569e+00 -1.687093450e+00 4.22 -8.468313057e-01 -1.419336034e+00 -1.654038402e+00 4.24 -8.188149461e-01 -1.384529132e+00 -1.620770312e+00 4.26 -7.911727488e-01 -1.350164245e+00 -1.587332339e+00 4.28 -7.639524589e-01 -1.316258635e+00 -1.553769829e+00 4.30 -7.372384271e-01 -1.282816376e+00 -1.520126748e+00 4.32 -7.111443711e-01 -1.249831712e+00 -1.486444793e+00 4.34 -6.857573618e-01 -1.217291886e+00 -1.452762949e+00 4.36 -6.611184714e-01 -1.185179499e+00 -1.419117082e+00 4.38 -6.372330461e-01 -1.153474449e+00 -1.385539597e+00 4.40 -6.140804004e-01 -1.122155493e+00 -1.352059151e+00 4.42 -5.916220724e-01 -1.091201476e+00 -1.318700451e+00 4.44 -5.698087241e-01 -1.060592287e+00 -1.285484135e+00 4.46 -5.485858590e-01 -1.030309566e+00 -1.252426748e+00 4.48 -5.278985113e-01 -1.000337224e+00 -1.219540830e+00 4.50 -5.076946662e-01 -9.706618005e-01 -1.186835126e+00 4.52 -4.879277380e-01 -9.412727119e-01 -1.154314922e+00 4.54 -4.685592140e-01 -9.121624208e-01 -1.121982535e+00 4.56 -4.495588131e-01 -8.833265649e-01 -1.089837957e+00 4.58 -4.309046119e-01 -8.547640823e-01 -1.057879670e+00 4.60 -4.125857738e-01 -8.264773770e-01 -1.026105651e+00 4.62 -3.945959717e-01 -7.984725282e-01 -9.945145754e-01 4.64 -3.769407499e-01 -7.707596204e-01 -9.631072315e-01 4.66 -3.596196405e-01 -7.433531764e-01 -9.318881697e-01 4.68 -3.425942100e-01 -7.162727600e-01 -9.008675980e-01 4.70 -3.260132597e-01 -6.895437632e-01 -8.700635336e-01 4.72 -3.099983923e-01 -6.631983732e-01 -8.395042307e-01 4.74 -2.946403881e-01 -6.372768340e-01 -8.092309180e-01 4.76 -2.796756022e-01 -6.118288784e-01 -7.793008183e-01 4.78 -2.648953108e-01 -5.869155192e-01 -7.497905284e-01 4.80 -2.502288321e-01 -5.626111064e-01 -7.207997286e-01 4.82 -2.356999581e-01 -5.390035358e-01 -6.924520243e-01 4.84 -2.213678244e-01 -5.161734811e-01 -6.648641852e-01 4.86 -2.074489530e-01 -4.941746361e-01 -6.381167989e-01 4.88 -1.941288455e-01 -4.730358473e-01 -6.122574715e-01 4.90 -1.814796125e-01 -4.527649460e-01 -5.873065851e-01 4.92 -1.694417065e-01 -4.333520661e-01 -5.632625448e-01 4.94 -1.581960925e-01 -4.147734395e-01 -5.401064019e-01 4.96 -1.478749062e-01 -3.969936184e-01 -5.178059421e-01 4.98 -1.385445113e-01 -3.799695100e-01 -4.963193529e-01 5.00 -1.302992400e-01 -3.636502349e-01 -4.755982455e-01 5.02 -1.229998028e-01 -3.479843853e-01 -4.555902246e-01 5.04 -1.162404406e-01 -3.329135235e-01 -4.362417211e-01 5.06 -1.097485368e-01 -3.183876936e-01 -4.174995790e-01 5.08 -1.033548690e-01 -3.043457256e-01 -3.993118970e-01 5.10 -9.696436296e-02 -2.907452449e-01 -3.816308467e-01 5.12 -9.053361201e-02 -2.775374597e-01 -3.644126611e-01 5.14 -8.404457950e-02 -2.646336225e-01 -3.476175804e-01 5.16 -7.750255399e-02 -2.520398882e-01 -3.312141695e-01 5.18 -7.106824226e-02 -2.396886362e-01 -3.151684203e-01 5.20 -6.486803839e-02 -2.276987638e-01 -2.994746021e-01 5.22 -5.897967653e-02 -2.162492592e-01 -2.840418036e-01 5.24 -5.344590772e-02 -2.054096543e-01 -2.689252006e-01 5.26 -4.828518085e-02 -1.951609362e-01 -2.540988103e-01 5.28 -4.349984301e-02 -1.850904301e-01 -2.396246768e-01 5.30 -3.908226526e-02 -1.747303853e-01 -2.258943387e-01 5.32 -3.501920819e-02 -1.637265711e-01 -2.129237486e-01 5.34 -3.129466643e-02 -1.519551807e-01 -2.006772550e-01 5.36 -2.789136833e-02 -1.395062841e-01 -1.882998847e-01 5.38 -2.479106624e-02 -1.266133611e-01 -1.752313604e-01 5.40 -2.197424949e-02 -1.136754841e-01 -1.612803547e-01 5.42 -1.942071758e-02 -1.011000496e-01 -1.465617316e-01 5.44 -1.711037502e-02 -8.917015831e-02 -1.313374718e-01 5.46 -1.502376987e-02 -7.805260550e-02 -1.162059391e-01 5.48 -1.314244780e-02 -6.783248862e-02 -1.017063192e-01 5.50 -1.144916450e-02 -5.853887865e-02 -8.815984025e-02 5.52 -9.927990737e-03 -5.016357673e-02 -7.573703899e-02 5.54 -8.564337611e-03 -4.267457956e-02 -6.450681956e-02 5.56 -7.344923718e-03 -3.602554674e-02 -5.447165412e-02 5.58 -6.257701545e-03 -3.016229134e-02 -4.559236491e-02 5.60 -5.291756535e-03 -2.502709177e-02 -3.780518462e-02 5.62 -4.437189345e-03 -2.056144209e-02 -3.103318745e-02 5.64 -3.684989461e-03 -1.670771190e-02 -2.519369530e-02 5.66 -3.026906481e-03 -1.341006994e-02 -2.020287352e-02 5.68 -2.455323956e-03 -1.061493341e-02 -1.597842161e-02 5.70 -1.963139659e-03 -8.271132364e-03 -1.244102175e-02 5.72 -1.543655346e-03 -6.329922584e-03 -9.515020622e-03 5.74 -1.190478552e-03 -4.744937666e-03 -7.128675994e-03 5.76 -8.974386227e-04 -3.472138697e-03 -5.214192103e-03 5.78 -6.585189541e-04 -2.469796318e-03 -3.707687332e-03 5.80 -4.678073424e-04 -1.698522712e-03 -2.549180102e-03 5.82 -3.194663193e-04 -1.121358973e-03 -1.682637739e-03 5.84 -2.077254155e-04 -7.039150357e-04 -1.056104980e-03 5.86 -1.268973947e-04 -4.145538728e-04 -6.219101538e-04 5.88 -7.142062979e-05 -2.246083022e-04 -3.369353924e-04 5.90 -3.592995541e-05 -1.086167362e-04 -1.629303932e-04 5.92 -1.535849260e-05 -4.456321711e-05 -6.684570483e-05 5.94 -5.073121199e-06 -1.410666540e-05 -2.116008527e-05 5.96 -1.046450193e-06 -2.784213990e-06 -4.176324352e-06 5.98 -6.831440777e-08 -1.736288736e-07 -2.604433235e-07 6.00 3.697643220e-13 5.404221693e-13 7.417729700e-13