# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--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 3.925929273e+02 nan nan 0.86 3.644507343e+02 nan nan 0.88 3.382054217e+02 nan nan 0.90 3.137320937e+02 nan nan 0.92 2.909141964e+02 3.688731148e+02 nan 0.94 2.696429263e+02 3.443443084e+02 4.083053582e+02 0.96 2.498166846e+02 3.213401680e+02 3.816850585e+02 0.98 2.313405720e+02 2.997687542e+02 3.566856982e+02 1.00 2.141259226e+02 2.795437078e+02 3.332126776e+02 1.02 1.980898736e+02 2.605838903e+02 3.111767423e+02 1.04 1.831549676e+02 2.428130504e+02 2.904936888e+02 1.06 1.692487847e+02 2.261595131e+02 2.710840863e+02 1.08 1.563036028e+02 2.105558917e+02 2.528730135e+02 1.10 1.442560832e+02 1.959388190e+02 2.357898088e+02 1.12 1.330469791e+02 1.822486982e+02 2.197678356e+02 1.14 1.226208655e+02 1.694294705e+02 2.047442586e+02 1.16 1.129258890e+02 1.574283985e+02 1.906598334e+02 1.18 1.039135347e+02 1.461958649e+02 1.774587069e+02 1.20 9.553841018e+01 1.356851842e+02 1.650882289e+02 1.22 8.775804414e+01 1.258524270e+02 1.534987737e+02 1.24 8.053269907e+01 1.166562558e+02 1.426435716e+02 1.26 7.382519647e+01 1.080577718e+02 1.324785492e+02 1.28 6.760075392e+01 1.000203708e+02 1.229621789e+02 1.30 6.182683290e+01 9.250960856e+01 1.140553362e+02 1.32 5.647299667e+01 8.549307487e+01 1.057211652e+02 1.34 5.151077735e+01 7.894027467e+01 9.792495090e+01 1.36 4.691355161e+01 7.282251700e+01 9.063399911e+01 1.38 4.265642433e+01 6.711281035e+01 8.381752234e+01 1.40 3.871611964e+01 6.178576436e+01 7.744653238e+01 1.42 3.507087888e+01 5.681749731e+01 7.149373861e+01 1.44 3.170036491e+01 5.218554908e+01 6.593345187e+01 1.46 2.858557251e+01 4.786879909e+01 6.074149369e+01 1.48 2.570874426e+01 4.384738910e+01 5.589511049e+01 1.50 2.305329176e+01 4.010265037e+01 5.137289248e+01 1.52 2.060372160e+01 3.661703503e+01 4.715469710e+01 1.54 1.834556606e+01 3.337405139e+01 4.322157667e+01 1.56 1.626531796e+01 3.035820281e+01 3.955571000e+01 1.58 1.435036961e+01 2.755493019e+01 3.614033789e+01 1.60 1.258895548e+01 2.495055760e+01 3.295970212e+01 1.62 1.097009845e+01 2.253224102e+01 2.999898789e+01 1.64 9.483559349e+00 2.028791992e+01 2.724426943e+01 1.66 8.119789588e+00 1.820627166e+01 2.468245871e+01 1.68 6.869886761e+00 1.627666837e+01 2.230125690e+01 1.70 5.725552979e+00 1.448913628e+01 2.008910870e+01 1.72 4.679055763e+00 1.283431735e+01 1.803515907e+01 1.74 3.723191399e+00 1.130343309e+01 1.612921255e+01 1.76 2.851250533e+00 9.888250334e+00 1.436169473e+01 1.78 2.056985946e+00 8.581049052e+00 1.272361596e+01 1.80 1.334582308e+00 7.374591906e+00 1.120653713e+01 1.82 6.786278497e-01 6.262095572e+00 9.802537327e+00 1.84 8.408778844e-02 5.237203674e+00 8.504183370e+00 1.86 -4.537205526e-01 4.293961261e+00 7.304501045e+00 1.88 -9.391510789e-01 3.426790743e+00 6.196947995e+00 1.90 -1.376250765e+00 2.630469199e+00 5.175388147e+00 1.92 -1.768780126e+00 1.900106987e+00 4.234067597e+00 1.94 -2.120232376e+00 1.231127585e+00 3.367591882e+00 1.96 -2.433851375e+00 6.192485896e-01 2.570904542e+00 1.98 -2.712648419e+00 6.046381433e-02 1.839266925e+00 2.00 -2.959417962e+00 -4.489735739e-01 1.168239146e+00 2.02 -3.176752319e+00 -9.125669389e-01 5.536621434e-01 2.04 -3.367055430e+00 -1.333591137e+00 -8.359221162e-03 2.06 -3.532555719e+00 -1.715106598e+00 -5.214720943e-01 2.08 -3.675318132e+00 -2.059972587e+00 -9.890906327e-01 2.10 -3.797255382e+00 -2.370859686e+00 -1.414410135e+00 2.12 -3.900138465e+00 -2.650261531e+00 -1.800420351e+00 2.14 -3.985606479e+00 -2.900505867e+00 -2.149918013e+00 2.16 -4.055175805e+00 -3.123764940e+00 -2.465518637e+00 2.18 -4.110248675e+00 -3.322065268e+00 -2.749667630e+00 2.20 -4.152121182e+00 -3.497296838e+00 -3.004650743e+00 2.22 -4.181990744e+00 -3.651221742e+00 -3.232603915e+00 2.24 -4.200963084e+00 -3.785482300e+00 -3.435522533e+00 2.26 -4.210058735e+00 -3.901608691e+00 -3.615270139e+00 2.28 -4.210219108e+00 -4.001026125e+00 -3.773586630e+00 2.30 -4.202312161e+00 -4.085061578e+00 -3.912095969e+00 2.32 -4.187137665e+00 -4.154950117e+00 -4.032313428e+00 2.34 -4.165432137e+00 -4.211840838e+00 -4.135652412e+00 2.36 -4.137873417e+00 -4.256802445e+00 -4.223430864e+00 2.38 -4.105084944e+00 -4.290828480e+00 -4.296877294e+00 2.40 -4.067639734e+00 -4.314842236e+00 -4.357136438e+00 2.42 -4.026064083e+00 -4.329701363e+00 -4.405274581e+00 2.44 -3.980841020e+00 -4.336202187e+00 -4.442284557e+00 2.46 -3.932413511e+00 -4.335083765e+00 -4.469090447e+00 2.48 -3.881187452e+00 -4.327031682e+00 -4.486551987e+00 2.50 -3.827534441e+00 -4.312681613e+00 -4.495468714e+00 2.52 -3.771794363e+00 -4.292622660e+00 -4.496583858e+00 2.54 -3.714277790e+00 -4.267400478e+00 -4.490587986e+00 2.56 -3.655037022e+00 -4.237520205e+00 -4.478122440e+00 2.58 -3.591698031e+00 -4.203449200e+00 -4.459782544e+00 2.60 -3.525622380e+00 -4.165619619e+00 -4.436120628e+00 2.62 -3.463840861e+00 -4.124430811e+00 -4.407648855e+00 2.64 -3.401464184e+00 -4.080251573e+00 -4.374841880e+00 2.66 -3.338668647e+00 -4.033422250e+00 -4.338139336e+00 2.68 -3.275613885e+00 -3.984256707e+00 -4.297948172e+00 2.70 -3.212444195e+00 -3.933043848e+00 -4.254644835e+00 2.72 -3.149289757e+00 -3.879913371e+00 -4.208577328e+00 2.74 -3.086267773e+00 -3.824360365e+00 -4.160067124e+00 2.76 -3.023483517e+00 -3.767505542e+00 -4.109410970e+00 2.78 -2.961031311e+00 -3.710623122e+00 -4.056882570e+00 2.80 -2.898995427e+00 -3.652825718e+00 -4.002734163e+00 2.82 -2.837450918e+00 -3.594287139e+00 -3.947198003e+00 2.84 -2.776464390e+00 -3.535166468e+00 -3.890487736e+00 2.86 -2.716094716e+00 -3.475609138e+00 -3.832799699e+00 2.88 -2.656393696e+00 -3.415747921e+00 -3.774314124e+00 2.90 -2.597406661e+00 -3.355703860e+00 -3.715196276e+00 2.92 -2.539173037e+00 -3.295587131e+00 -3.655597506e+00 2.94 -2.481726864e+00 -3.235497854e+00 -3.595656240e+00 2.96 -2.425097272e+00 -3.175526839e+00 -3.535498906e+00 2.98 -2.369308923e+00 -3.115756293e+00 -3.475240796e+00 3.00 -2.314382414e+00 -3.056260467e+00 -3.414986870e+00 3.02 -2.260334657e+00 -2.997106264e+00 -3.354832510e+00 3.04 -2.207179215e+00 -2.938353806e+00 -3.294864224e+00 3.06 -2.154926623e+00 -2.880056959e+00 -3.235160301e+00 3.08 -2.103584681e+00 -2.822263819e+00 -3.175791420e+00 3.10 -2.053158715e+00 -2.765017172e+00 -3.116821222e+00 3.12 -2.003651830e+00 -2.708354912e+00 -3.058290855e+00 3.14 -1.955065127e+00 -2.652310435e+00 -2.998495527e+00 3.16 -1.907397917e+00 -2.596913003e+00 -2.929738856e+00 3.18 -1.860647907e+00 -2.542188085e+00 -2.854376337e+00 3.20 -1.814811373e+00 -2.488157667e+00 -2.798606915e+00 3.22 -1.769883318e+00 -2.434840547e+00 -2.743853376e+00 3.24 -1.725857622e+00 -2.382252604e+00 -2.689772711e+00 3.26 -1.682727168e+00 -2.330407045e+00 -2.636388622e+00 3.28 -1.640483966e+00 -2.279314645e+00 -2.583721443e+00 3.30 -1.599119264e+00 -2.228983954e+00 -2.531788420e+00 3.32 -1.558623648e+00 -2.179421500e+00 -2.480603967e+00 3.34 -1.518987134e+00 -2.130631972e+00 -2.430179905e+00 3.36 -1.480199247e+00 -2.082618391e+00 -2.380525689e+00 3.38 -1.442249104e+00 -2.035382267e+00 -2.331648604e+00 3.40 -1.405125476e+00 -1.988923744e+00 -2.283553966e+00 3.42 -1.368816852e+00 -1.943241736e+00 -2.236245292e+00 3.44 -1.333311498e+00 -1.898334049e+00 -2.189724466e+00 3.46 -1.298597503e+00 -1.854197498e+00 -2.143991891e+00 3.48 -1.264662827e+00 -1.810828008e+00 -2.099046626e+00 3.50 -1.231495343e+00 -1.768220717e+00 -2.054886521e+00 3.52 -1.199082871e+00 -1.726370063e+00 -2.011508328e+00 3.54 -1.167413212e+00 -1.685269864e+00 -1.968907822e+00 3.56 -1.136474182e+00 -1.644913400e+00 -1.927079891e+00 3.58 -1.106253629e+00 -1.605293478e+00 -1.886018641e+00 3.60 -1.076754040e+00 -1.566402495e+00 -1.845717472e+00 3.62 -1.050847359e+00 -1.528232505e+00 -1.806169166e+00 3.64 -1.051567454e+00 -1.490775262e+00 -1.767365955e+00 3.66 -1.151114796e+00 -1.454022280e+00 -1.729299588e+00 3.68 -1.126739258e+00 -1.417964871e+00 -1.691961396e+00 3.70 -1.100858970e+00 -1.382594192e+00 -1.655342345e+00 3.72 -1.075316299e+00 -1.347901279e+00 -1.619433089e+00 3.74 -1.050113818e+00 -1.313877085e+00 -1.584224016e+00 3.76 -1.025253814e+00 -1.280512510e+00 -1.549705294e+00 3.78 -1.000738236e+00 -1.247798431e+00 -1.515866907e+00 3.80 -9.765686633e-01 -1.215725730e+00 -1.482698694e+00 3.82 -9.527462844e-01 -1.184289872e+00 -1.450190377e+00 3.84 -9.292718898e-01 -1.153964203e+00 -1.418331596e+00 3.86 -9.061458759e-01 -1.126834384e+00 -1.387111933e+00 3.88 -8.833682578e-01 -1.100193205e+00 -1.356520936e+00 3.90 -8.609386916e-01 -1.069967215e+00 -1.326548141e+00 3.92 -8.388565013e-01 -1.045721064e+00 -1.297183094e+00 3.94 -8.171190322e-01 -1.021999480e+00 -1.268415367e+00 3.96 -7.943748961e-01 -9.987939440e-01 -1.240234571e+00 3.98 -7.605693007e-01 -9.760959874e-01 -1.212630377e+00 4.00 -6.768771441e-01 -9.538971992e-01 -1.185592524e+00 4.02 -3.545554979e-01 -9.321892265e-01 -1.159110829e+00 4.04 -3.274968032e-01 -9.109637764e-01 -1.133175202e+00 4.06 -3.204048792e-01 -8.902126153e-01 -1.107775650e+00 4.08 -3.134656012e-01 -8.699275685e-01 -1.082902286e+00 4.10 -3.066755814e-01 -8.501005178e-01 -1.058545340e+00 4.12 -3.000315140e-01 -8.307233981e-01 -1.034695155e+00 4.14 -2.935301732e-01 -8.117881937e-01 -1.011342202e+00 4.16 -2.871684111e-01 -7.932869328e-01 -9.884770789e-01 4.18 -2.809431558e-01 -7.752116816e-01 -9.660905141e-01 4.20 -2.748514093e-01 -7.575545374e-01 -9.441733708e-01 4.22 -2.688902455e-01 -7.403076204e-01 -9.227166482e-01 4.24 -2.630568085e-01 -7.234630657e-01 -9.017114836e-01 4.26 -2.573483107e-01 -7.070130131e-01 -8.811491538e-01 4.28 -2.517620308e-01 -6.909495978e-01 -8.610210755e-01 4.30 -2.462953121e-01 -6.752649388e-01 -8.413188063e-01 4.32 -2.409455610e-01 -6.599511279e-01 -8.220340442e-01 4.34 -2.357102448e-01 -6.450002182e-01 -8.031586280e-01 4.36 -2.305868906e-01 -6.304042114e-01 -7.846845366e-01 4.38 -2.255730832e-01 -6.161550456e-01 -7.666038881e-01 4.40 -2.206664640e-01 -6.022445831e-01 -7.489089396e-01 4.42 -2.154046583e-01 -5.877984519e-01 -7.309018403e-01 4.44 -2.039697676e-01 -5.617406240e-01 -7.035444176e-01 4.46 -1.710410727e-01 -4.908955840e-01 -6.339606895e-01 4.48 -9.532373165e-02 -3.029810376e-01 -4.182939986e-01 4.50 -1.383649431e-22 -4.359891739e-22 -3.917431475e-22 4.52 0.000000000e+00 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