# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Wu-C-Lee-B-J-Su-X--Ni-Fe # implementation = 2017--Wu-C--Ni-Fe--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 4.897886801e+02 nan nan 0.80 4.551131567e+02 nan nan 0.82 4.227659004e+02 nan nan 0.84 3.925929488e+02 4.843345893e+02 nan 0.86 3.644507543e+02 4.526591187e+02 5.330929386e+02 0.88 3.382054404e+02 4.229402244e+02 4.989247228e+02 0.90 3.137321112e+02 3.950594736e+02 4.668157849e+02 0.92 2.909142127e+02 3.689057405e+02 4.366468547e+02 0.94 2.696429415e+02 3.443747280e+02 4.083053598e+02 0.96 2.498166988e+02 3.213685211e+02 3.816850601e+02 0.98 2.313405852e+02 2.997951720e+02 3.566856996e+02 1.00 2.141259349e+02 2.795683135e+02 3.332126789e+02 1.02 1.980898851e+02 2.606067998e+02 3.111767435e+02 1.04 1.831549783e+02 2.428343724e+02 2.904936899e+02 1.06 1.692487946e+02 2.261793500e+02 2.710840874e+02 1.08 1.563036120e+02 2.105743393e+02 2.528730144e+02 1.10 1.442560918e+02 1.959559676e+02 2.357898097e+02 1.12 1.330469871e+02 1.822646325e+02 2.197678364e+02 1.14 1.226208730e+02 1.694442700e+02 2.047442594e+02 1.16 1.129258959e+02 1.574421379e+02 1.906598341e+02 1.18 1.039135411e+02 1.462086142e+02 1.774587075e+02 1.20 9.553841611e+01 1.356970091e+02 1.650882295e+02 1.22 8.775804964e+01 1.258633892e+02 1.534987743e+02 1.24 8.053270416e+01 1.166664131e+02 1.426435721e+02 1.26 7.382520119e+01 1.080671784e+02 1.324785497e+02 1.28 6.760075829e+01 1.000290775e+02 1.229621793e+02 1.30 6.182683695e+01 9.251766305e+01 1.140553366e+02 1.32 5.647300041e+01 8.550052169e+01 1.057211655e+02 1.34 5.151078080e+01 7.894715558e+01 9.792495124e+01 1.36 4.691355479e+01 7.282887108e+01 9.063399943e+01 1.38 4.265642727e+01 6.711867417e+01 8.381752262e+01 1.40 3.871612235e+01 6.179117213e+01 7.744653264e+01 1.42 3.507088138e+01 5.682248103e+01 7.149373884e+01 1.44 3.170036721e+01 5.219013864e+01 6.593345208e+01 1.46 2.858557462e+01 4.787302244e+01 6.074149389e+01 1.48 2.570874620e+01 4.385127234e+01 5.589511067e+01 1.50 2.305329354e+01 4.010621788e+01 5.137289264e+01 1.52 2.060372323e+01 3.662030957e+01 4.715469725e+01 1.54 1.834556756e+01 3.337705419e+01 4.322157681e+01 1.56 1.626531933e+01 3.036095367e+01 3.955571012e+01 1.58 1.435037086e+01 2.755744759e+01 3.614033801e+01 1.60 1.258895662e+01 2.495285875e+01 3.295970223e+01 1.62 1.097009949e+01 2.253434196e+01 2.999898799e+01 1.64 9.483560294e+00 2.028983559e+01 2.724426952e+01 1.66 8.119790445e+00 1.820801598e+01 2.468245879e+01 1.68 6.869887539e+00 1.627825429e+01 2.230125698e+01 1.70 5.725553682e+00 1.449057584e+01 2.008910876e+01 1.72 4.679056398e+00 1.283562178e+01 1.803515914e+01 1.74 3.723191969e+00 1.130461278e+01 1.612921261e+01 1.76 2.851251045e+00 9.889314990e+00 1.436169478e+01 1.78 2.056986403e+00 8.582007660e+00 1.272361600e+01 1.80 1.334582716e+00 7.375452825e+00 1.120653717e+01 1.82 6.786282101e-01 6.262866557e+00 9.802537363e+00 1.84 8.408810756e-02 5.237891924e+00 8.504183403e+00 1.86 -4.537202731e-01 4.294573451e+00 7.304501074e+00 1.88 -9.391508347e-01 3.427333064e+00 6.196948021e+00 1.90 -1.376250554e+00 2.630947388e+00 5.175388170e+00 1.92 -1.768779945e+00 1.900526361e+00 4.234067617e+00 1.94 -2.120232222e+00 1.231493067e+00 3.367591900e+00 1.96 -2.433851246e+00 6.195647345e-01 2.570904557e+00 1.98 -2.712648313e+00 6.073484069e-02 1.839266939e+00 2.00 -2.959417877e+00 -4.487437677e-01 1.168239157e+00 2.02 -3.176752253e+00 -9.123747467e-01 5.536621544e-01 2.04 -3.367055381e+00 -1.333433228e+00 -8.359212230e-03 2.06 -3.532555686e+00 -1.714979895e+00 -5.214720858e-01 2.08 -3.675318113e+00 -2.059874251e+00 -9.890906254e-01 2.10 -3.797255376e+00 -2.370787095e+00 -1.414410128e+00 2.12 -3.900138471e+00 -2.650212268e+00 -1.800420345e+00 2.14 -3.985606495e+00 -2.900477704e+00 -2.149918008e+00 2.16 -4.055175830e+00 -3.123755823e+00 -2.465518632e+00 2.18 -4.110248709e+00 -3.322073308e+00 -2.749667626e+00 2.20 -4.152121223e+00 -3.497320295e+00 -3.004650739e+00 2.22 -4.181990792e+00 -3.651259016e+00 -3.232603913e+00 2.24 -4.200963138e+00 -3.785531919e+00 -3.435522530e+00 2.26 -4.210047595e+00 -3.901669305e+00 -3.615270137e+00 2.28 -4.208799277e+00 -4.001096493e+00 -3.773586629e+00 2.30 -4.193179148e+00 -4.085140563e+00 -3.912095967e+00 2.32 -4.175106426e+00 -4.155036674e+00 -4.032313427e+00 2.34 -4.153698121e+00 -4.211934011e+00 -4.135652411e+00 2.36 -4.126434433e+00 -4.256901359e+00 -4.223430864e+00 2.38 -4.093938484e+00 -4.290932335e+00 -4.296877293e+00 2.40 -4.056783002e+00 -4.314941138e+00 -4.357136438e+00 2.42 -4.015494029e+00 -4.329351214e+00 -4.405274581e+00 2.44 -3.970554363e+00 -4.333849612e+00 -4.442284558e+00 2.46 -3.922406764e+00 -4.332023334e+00 -4.469090447e+00 2.48 -3.871456941e+00 -4.324043156e+00 -4.486551987e+00 2.50 -3.818076327e+00 -4.309764369e+00 -4.495468714e+00 2.52 -3.762604657e+00 -4.289776024e+00 -4.496583858e+00 2.54 -3.705352370e+00 -4.264623731e+00 -4.490587986e+00 2.56 -3.646602837e+00 -4.234812583e+00 -4.478122440e+00 2.58 -3.586614434e+00 -4.200809907e+00 -4.459782544e+00 2.60 -3.525622464e+00 -4.163047819e+00 -4.436120627e+00 2.62 -3.463840946e+00 -4.121925641e+00 -4.407648855e+00 2.64 -3.401464268e+00 -4.077812138e+00 -4.374841880e+00 2.66 -3.338668729e+00 -4.031047631e+00 -4.338139336e+00 2.68 -3.275613967e+00 -3.981945960e+00 -4.297948171e+00 2.70 -3.212444276e+00 -3.930796328e+00 -4.254644835e+00 2.72 -3.149289837e+00 -3.877865022e+00 -4.208577327e+00 2.74 -3.086267851e+00 -3.823397018e+00 -4.160067123e+00 2.76 -3.023483594e+00 -3.767617490e+00 -4.109410856e+00 2.78 -2.961031387e+00 -3.710733207e+00 -4.055881753e+00 2.80 -2.898995502e+00 -3.652933853e+00 -3.990754149e+00 2.82 -2.837450991e+00 -3.594393244e+00 -3.905731116e+00 2.84 -2.776464462e+00 -3.535270476e+00 -3.842208444e+00 2.86 -2.716094787e+00 -3.475710991e+00 -3.785580017e+00 2.88 -2.656393766e+00 -3.415847568e+00 -3.728143289e+00 2.90 -2.597406729e+00 -3.355801259e+00 -3.670063004e+00 2.92 -2.539173104e+00 -3.295682247e+00 -3.611490050e+00 2.94 -2.481726930e+00 -3.235590657e+00 -3.552562444e+00 2.96 -2.425097337e+00 -3.175617307e+00 -3.493406249e+00 2.98 -2.369308986e+00 -3.115844407e+00 -3.434136430e+00 3.00 -2.314382477e+00 -3.056346214e+00 -3.374857662e+00 3.02 -2.260334718e+00 -2.997189634e+00 -3.315665074e+00 3.04 -2.207179274e+00 -2.938434794e+00 -3.256644952e+00 3.06 -2.154926682e+00 -2.880135562e+00 -3.197875387e+00 3.08 -2.103584738e+00 -2.822340038e+00 -3.139426891e+00 3.10 -2.053158772e+00 -2.765091011e+00 -3.081362959e+00 3.12 -2.003651885e+00 -2.708426377e+00 -3.023740602e+00 3.14 -1.955065181e+00 -2.652379533e+00 -2.966610841e+00 3.16 -1.907397970e+00 -2.596979746e+00 -2.910019165e+00 3.18 -1.860647959e+00 -2.542252483e+00 -2.854005961e+00 3.20 -1.814796111e+00 -2.488219735e+00 -2.798606913e+00 3.22 -1.769688041e+00 -2.434900299e+00 -2.743853374e+00 3.24 -1.728970798e+00 -2.382310055e+00 -2.689772710e+00 3.26 -1.744408653e+00 -2.330462214e+00 -2.636388621e+00 3.28 -1.713124179e+00 -2.279367548e+00 -2.583721442e+00 3.30 -1.680530370e+00 -2.229034610e+00 -2.531788419e+00 3.32 -1.648330311e+00 -2.179469928e+00 -2.480603965e+00 3.34 -1.616509937e+00 -2.130678191e+00 -2.430179904e+00 3.36 -1.585056532e+00 -2.082662423e+00 -2.380525687e+00 3.38 -1.553958816e+00 -2.035424035e+00 -2.331648602e+00 3.40 -1.523206997e+00 -1.988367619e+00 -2.283553964e+00 3.42 -1.492792794e+00 -1.935835227e+00 -2.236245290e+00 3.44 -1.462709426e+00 -1.861490118e+00 -2.189724465e+00 3.46 -1.432951572e+00 -1.758079170e+00 -2.143991889e+00 3.48 -1.403515302e+00 -1.715413532e+00 -2.099046625e+00 3.50 -1.374163460e+00 -1.678213124e+00 -2.054886519e+00 3.52 -1.333397248e+00 -1.641704192e+00 -2.011508327e+00 3.54 -1.227704926e+00 -1.605881137e+00 -1.968907820e+00 3.56 -8.785098424e-01 -1.570737867e+00 -1.927079890e+00 3.58 -5.419246992e-01 -1.536267849e+00 -1.886018639e+00 3.60 -5.301682140e-01 -1.502464169e+00 -1.845717470e+00 3.62 -5.186693732e-01 -1.469319577e+00 -1.806169164e+00 3.64 -5.074224201e-01 -1.436826537e+00 -1.767365953e+00 3.66 -4.964217073e-01 -1.404977263e+00 -1.729299587e+00 3.68 -4.856616984e-01 -1.373763759e+00 -1.691961395e+00 3.70 -4.751369691e-01 -1.343177852e+00 -1.655342344e+00 3.72 -4.648422083e-01 -1.313211227e+00 -1.619433087e+00 3.74 -4.547722177e-01 -1.283855449e+00 -1.584224015e+00 3.76 -4.449219119e-01 -1.255101996e+00 -1.549705293e+00 3.78 -4.352863181e-01 -1.226942272e+00 -1.515866906e+00 3.80 -4.258605748e-01 -1.199367639e+00 -1.482698692e+00 3.82 -4.166399312e-01 -1.172369427e+00 -1.450190375e+00 3.84 -4.076197459e-01 -1.145938952e+00 -1.418331595e+00 3.86 -3.987954851e-01 -1.120067532e+00 -1.387111932e+00 3.88 -3.901627213e-01 -1.094746501e+00 -1.356520934e+00 3.90 -3.817171314e-01 -1.069967214e+00 -1.326548140e+00 3.92 -3.726485261e-01 -1.043987869e+00 -1.295608480e+00 3.94 -3.527650418e-01 -9.946929068e-01 -1.243251556e+00 3.96 -2.953223070e-01 -8.586235157e-01 -1.102827037e+00 3.98 -1.638236140e-01 -5.148142314e-01 -7.025148495e-01 4.00 -1.713795955e-22 -3.960355575e-22 -4.460549408e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 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