# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Kim-J-Koo-Y-Lee-B-J--Fe-Pt # implementation = 2006--Kim-J--Fe-Pt--LAMMPS--ipr1 # composition = FePt3 # 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 1.935764124e+03 nan nan 0.84 1.789502230e+03 nan nan 0.86 1.653928130e+03 nan nan 0.88 1.528277371e+03 nan nan 0.90 1.411839320e+03 1.536990443e+03 nan 0.92 1.303953420e+03 1.434157852e+03 1.836925993e+03 0.94 1.204005710e+03 1.337884315e+03 1.715514409e+03 0.96 1.111425577e+03 1.247766115e+03 1.601777803e+03 0.98 1.025682734e+03 1.163423627e+03 1.495246753e+03 1.00 9.462844134e+02 1.084499925e+03 1.395479764e+03 1.02 8.727727407e+02 1.010659459e+03 1.302061645e+03 1.04 8.047223023e+02 9.415868139e+02 1.214601980e+03 1.06 7.417378738e+02 8.769855354e+02 1.132733689e+03 1.08 6.834523084e+02 8.165770236e+02 1.056111663e+03 1.10 6.295245701e+02 7.600994885e+02 9.844114843e+02 1.12 5.796379039e+02 7.073069653e+02 9.173282176e+02 1.14 5.334981324e+02 6.579683855e+02 8.545752681e+02 1.16 4.908320703e+02 6.118667017e+02 7.958833070e+02 1.18 4.513860492e+02 5.687980613e+02 7.409992583e+02 1.20 4.149245450e+02 5.285710285e+02 6.896853432e+02 1.22 3.812288999e+02 4.910058502e+02 6.417181798e+02 1.24 3.500961343e+02 4.559337647e+02 5.968879343e+02 1.26 3.213378405e+02 4.231963493e+02 5.549975214e+02 1.28 2.947791538e+02 3.926449066e+02 5.158618501e+02 1.30 2.702577953e+02 3.641398849e+02 4.793071140e+02 1.32 2.476231817e+02 3.375503335e+02 4.451701217e+02 1.34 2.267355964e+02 3.127533884e+02 4.132976665e+02 1.36 2.074654197e+02 2.896337884e+02 3.835459324e+02 1.38 1.896924118e+02 2.680834196e+02 3.557799348e+02 1.40 1.733050464e+02 2.480008854e+02 3.298729935e+02 1.42 1.581998911e+02 2.292911030e+02 3.057062361e+02 1.44 1.442810311e+02 2.118649221e+02 2.831681311e+02 1.46 1.314595330e+02 1.956387668e+02 2.621540474e+02 1.48 1.196529469e+02 1.805342981e+02 2.425658400e+02 1.50 1.087848429e+02 1.664780965e+02 2.243114598e+02 1.52 9.878438050e+01 1.534013629e+02 2.073045865e+02 1.54 8.958590840e+01 1.412396375e+02 1.914642825e+02 1.56 8.112859223e+01 1.299325353e+02 1.767146677e+02 1.58 7.335606874e+01 1.194234967e+02 1.629846132e+02 1.60 6.621612433e+01 1.096595534e+02 1.502074530e+02 1.62 5.966039637e+01 1.005911084e+02 1.383207129e+02 1.64 5.364409557e+01 9.217172819e+01 1.272658550e+02 1.66 4.812574805e+01 8.435794842e+01 1.169880377e+02 1.68 4.306695575e+01 7.710909022e+01 1.074358904e+02 1.70 3.843217376e+01 7.038708817e+01 9.856130004e+01 1.72 3.418850354e+01 6.415632821e+01 9.031921229e+01 1.74 3.030550079e+01 5.838349541e+01 8.266744303e+01 1.76 2.675499705e+01 5.303743091e+01 7.556650182e+01 1.78 2.351093400e+01 4.808899739e+01 6.897942581e+01 1.80 2.054920958e+01 4.351095277e+01 6.287162352e+01 1.82 1.784753513e+01 3.927783146e+01 5.721072798e+01 1.84 1.538530273e+01 3.536583289e+01 5.196645878e+01 1.86 1.314346205e+01 3.175271669e+01 4.711049234e+01 1.88 1.110440601e+01 2.841770438e+01 4.261634001e+01 1.90 9.251864728e+00 2.534138698e+01 3.845923354e+01 1.92 7.570806979e+00 2.250563820e+01 3.461601750e+01 1.94 6.047348846e+00 1.989353313e+01 3.106504816e+01 1.96 4.668668905e+00 1.748927169e+01 2.778609856e+01 1.98 3.422929555e+00 1.527810698e+01 2.476026932e+01 2.00 2.299204028e+00 1.324627787e+01 2.196990490e+01 2.02 1.287408680e+00 1.138094593e+01 1.939851495e+01 2.04 3.782402015e-01 9.670136068e+00 1.703070050e+01 2.06 -4.368826272e-01 8.102681001e+00 1.485208461e+01 2.08 -1.165872933e+00 6.668169081e+00 1.284924737e+01 2.10 -1.816025819e+00 5.356895404e+00 1.100966479e+01 2.12 -2.394064788e+00 4.159815965e+00 9.321651540e+00 2.14 -2.906184760e+00 3.068504664e+00 7.774307164e+00 2.16 -3.358091957e+00 2.075113022e+00 6.357465673e+00 2.18 -3.755040857e+00 1.172332407e+00 5.061648219e+00 2.20 -4.101868437e+00 3.533586431e-01 3.878018723e+00 2.22 -4.403025898e+00 -3.881411440e-01 2.798342266e+00 2.24 -4.662608050e+00 -1.058059597e+00 1.814946075e+00 2.26 -4.884380534e+00 -1.661878225e+00 9.206829412e-01 2.28 -5.071805032e+00 -2.204694653e+00 1.088969325e-01 2.30 -5.228062597e+00 -2.691248141e+00 -6.266087400e-01 2.32 -5.356075272e+00 -3.125943474e+00 -1.291601838e+00 2.34 -5.458526085e+00 -3.512873329e+00 -1.891449318e+00 2.36 -5.537877565e+00 -3.855839208e+00 -2.431143758e+00 2.38 -5.596388872e+00 -4.158371024e+00 -2.915328130e+00 2.40 -5.636131643e+00 -4.423745427e+00 -3.348318979e+00 2.42 -5.659004659e+00 -4.655002951e+00 -3.734128142e+00 2.44 -5.666747403e+00 -4.854964048e+00 -4.076483080e+00 2.46 -5.660952600e+00 -5.026244083e+00 -4.378845904e+00 2.48 -5.643077814e+00 -5.171267356e+00 -4.644431189e+00 2.50 -5.614451625e+00 -5.292280209e+00 -4.876222644e+00 2.52 -5.576219189e+00 -5.391363276e+00 -5.076988703e+00 2.54 -5.529475781e+00 -5.470442929e+00 -5.249297114e+00 2.56 -5.475517539e+00 -5.531301981e+00 -5.395528586e+00 2.58 -5.415087893e+00 -5.575589668e+00 -5.517889541e+00 2.60 -5.349031944e+00 -5.604830987e+00 -5.618424050e+00 2.62 -5.278119709e+00 -5.620435409e+00 -5.699024977e+00 2.64 -5.203052122e+00 -5.623705002e+00 -5.761444404e+00 2.66 -5.124466714e+00 -5.615839417e+00 -5.807303372e+00 2.68 -5.042942850e+00 -5.597935613e+00 -5.838100969e+00 2.70 -4.959006565e+00 -5.571035124e+00 -5.855222839e+00 2.72 -4.873135015e+00 -5.536094497e+00 -5.859949108e+00 2.74 -4.785760599e+00 -5.493967313e+00 -5.853461798e+00 2.76 -4.697274738e+00 -5.445454130e+00 -5.836851742e+00 2.78 -4.608031377e+00 -5.391291700e+00 -5.811125038e+00 2.80 -4.518350204e+00 -5.332157627e+00 -5.777209072e+00 2.82 -4.428519610e+00 -5.268674715e+00 -5.735958135e+00 2.84 -4.338799432e+00 -5.201415016e+00 -5.688158664e+00 2.86 -4.249423459e+00 -5.130903598e+00 -5.634534129e+00 2.88 -4.160601756e+00 -5.057622060e+00 -5.575749582e+00 2.90 -4.072522790e+00 -4.982011797e+00 -5.512415909e+00 2.92 -3.985355396e+00 -4.904477044e+00 -5.445093778e+00 2.94 -3.899250578e+00 -4.825387707e+00 -5.374297327e+00 2.96 -3.814343170e+00 -4.745081998e+00 -5.300497593e+00 2.98 -3.730753354e+00 -4.663868877e+00 -5.224125709e+00 3.00 -3.648588064e+00 -4.582030333e+00 -5.145575874e+00 3.02 -3.567942269e+00 -4.499823496e+00 -5.065208119e+00 3.04 -3.488900147e+00 -4.417482591e+00 -4.983350884e+00 3.06 -3.411536162e+00 -4.335220767e+00 -4.900270884e+00 3.08 -3.335916051e+00 -4.253231772e+00 -4.815822423e+00 3.10 -3.262097721e+00 -4.171691517e+00 -4.729646549e+00 3.12 -3.190132064e+00 -4.090759509e+00 -4.643932794e+00 3.14 -3.120063694e+00 -4.010580184e+00 -4.558663707e+00 3.16 -3.051931621e+00 -3.931284116e+00 -4.473335093e+00 3.18 -2.985769838e+00 -3.852989136e+00 -4.388112507e+00 3.20 -2.921607856e+00 -3.775801343e+00 -4.303144932e+00 3.22 -2.859471159e+00 -3.699816023e+00 -4.218566104e+00 3.24 -2.799381602e+00 -3.625118464e+00 -4.134495741e+00 3.26 -2.741357735e+00 -3.551784689e+00 -4.051040677e+00 3.28 -2.685415061e+00 -3.479882084e+00 -3.968295919e+00 3.30 -2.631566220e+00 -3.409469933e+00 -3.886345626e+00 3.32 -2.579821094e+00 -3.340599862e+00 -3.805264005e+00 3.34 -2.530186836e+00 -3.273316178e+00 -3.725116156e+00 3.36 -2.482667801e+00 -3.207656114e+00 -3.645958841e+00 3.38 -2.437265382e+00 -3.143649970e+00 -3.567841202e+00 3.40 -2.393977744e+00 -3.081321154e+00 -3.490805420e+00 3.42 -2.352799433e+00 -3.020686125e+00 -3.414887327e+00 3.44 -2.313720855e+00 -2.961754244e+00 -3.340116971e+00 3.46 -2.276727623e+00 -2.904527539e+00 -3.266519135e+00 3.48 -2.241799739e+00 -2.849000408e+00 -3.194113816e+00 3.50 -2.208910628e+00 -2.795159280e+00 -3.122916671e+00 3.52 -2.178029063e+00 -2.742982272e+00 -3.052939422e+00 3.54 -2.150172768e+00 -2.692438888e+00 -2.984190230e+00 3.56 -2.141171016e+00 -2.643489818e+00 -2.916674045e+00 3.58 -2.121220027e+00 -2.596086911e+00 -2.850392919e+00 3.60 -2.034770789e+00 -2.550173400e+00 -2.785346301e+00 3.62 -2.010057660e+00 -2.505684460e+00 -2.721531303e+00 3.64 -1.986247374e+00 -2.462548175e+00 -2.658942946e+00 3.66 -1.963267975e+00 -2.420686984e+00 -2.597574387e+00 3.68 -1.941028356e+00 -2.380019619e+00 -2.537417125e+00 3.70 -1.919417901e+00 -2.340463537e+00 -2.478461191e+00 3.72 -1.898306860e+00 -2.301937764e+00 -2.420695318e+00 3.74 -1.877547615e+00 -2.263446389e+00 -2.364107102e+00 3.76 -1.856976923e+00 -2.204814484e+00 -2.308683145e+00 3.78 -1.836419251e+00 -2.068686648e+00 -2.254409187e+00 3.80 -1.815691211e+00 -1.836720723e+00 -2.201270227e+00 3.82 -1.794607054e+00 -1.743043616e+00 -2.149250629e+00 3.84 -1.772985059e+00 -1.713784185e+00 -2.098334223e+00 3.86 -1.749410103e+00 -1.685946005e+00 -2.048504396e+00 3.88 -1.684435102e+00 -1.659510307e+00 -1.999744172e+00 3.90 -1.443586281e+00 -1.634454815e+00 -1.952036285e+00 3.92 -8.701406509e-01 -1.610753110e+00 -1.905363247e+00 3.94 -2.967568048e-01 -1.588373916e+00 -1.859707407e+00 3.96 -2.887088433e-01 -1.567280304e+00 -1.815051006e+00 3.98 -2.808752258e-01 -1.547428829e+00 -1.771376225e+00 4.00 -2.732500601e-01 -1.528768612e+00 -1.728665228e+00 4.02 -2.658276235e-01 -1.511240390e+00 -1.686900200e+00 4.04 -2.586023596e-01 -1.494775580e+00 -1.646063385e+00 4.06 -2.515688735e-01 -1.479295395e+00 -1.606137112e+00 4.08 -2.447219284e-01 -1.464710084e+00 -1.567103827e+00 4.10 -2.380564411e-01 -1.450918371e+00 -1.528946111e+00 4.12 -2.315674782e-01 -1.437807190e+00 -1.491646707e+00 4.14 -2.252502512e-01 -1.425251832e+00 -1.455188535e+00 4.16 -2.191001134e-01 -1.413116591e+00 -1.419554708e+00 4.18 -2.131125549e-01 -1.401256044e+00 -1.384728547e+00 4.20 -2.072831987e-01 -1.389517034e+00 -1.350693591e+00 4.22 -2.016077972e-01 -1.377741415e+00 -1.317433609e+00 4.24 -1.960822274e-01 -1.365769565e+00 -1.284932605e+00 4.26 -1.907024876e-01 -1.353444572e+00 -1.253174829e+00 4.28 -1.854646935e-01 -1.340616966e+00 -1.222144779e+00 4.30 -1.803650741e-01 -1.327149722e+00 -1.191827205e+00 4.32 -1.749427389e-01 -1.309547367e+00 -1.158748341e+00 4.34 -1.634933829e-01 -1.244610820e+00 -1.079592932e+00 4.36 -1.320635501e-01 -1.022580258e+00 -8.511264380e-01 4.38 -6.706419772e-02 -5.283976861e-01 -3.977619620e-01 4.40 -7.668108045e-23 -2.969932862e-22 -2.597884491e-22 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 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