# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Al-Mn # implementation = 2025--Sharifi-H--Fe-Al-Mn--LAMMPS--ipr1 # composition = Fe # 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 2025-07-01 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 5.961217966e+02 nan nan nan nan 0.80 nan nan nan nan nan 5.447058700e+02 nan nan nan nan 0.82 nan nan nan nan nan 4.983106871e+02 nan nan 5.435268901e+02 nan 0.84 nan nan nan nan nan 4.563796854e+02 nan nan 4.936162498e+02 nan 0.86 nan nan nan nan nan 4.184264124e+02 nan nan 4.475509895e+02 nan 0.88 nan nan nan nan nan 3.840245376e+02 nan nan 4.054078731e+02 nan 0.90 nan 6.886314267e+02 nan nan nan 3.527994574e+02 nan nan 3.671053506e+02 5.305330861e+02 0.92 nan 6.170211450e+02 nan nan nan 3.244212155e+02 5.567039949e+02 nan 3.324621176e+02 4.879472831e+02 0.94 nan 5.506270339e+02 nan nan nan 2.985984951e+02 5.063370870e+02 nan 3.012386099e+02 4.491949984e+02 0.96 nan 4.899010586e+02 nan nan nan 2.750735225e+02 4.600432670e+02 nan 2.731659675e+02 4.138895657e+02 0.98 nan 4.349387215e+02 6.911366142e+02 nan nan 2.536187926e+02 4.176545740e+02 nan 2.479666396e+02 3.816897222e+02 1.00 nan 3.853754456e+02 6.283307830e+02 nan 7.065364369e+02 2.334367707e+02 3.784527290e+02 6.446075767e+02 2.249201029e+02 3.513991601e+02 1.02 6.458410152e+02 3.405023688e+02 5.680103882e+02 6.458376043e+02 6.458341933e+02 2.132333571e+02 3.411288650e+02 5.845808462e+02 2.029287218e+02 3.210767247e+02 1.04 5.865815445e+02 3.001894057e+02 5.110055691e+02 5.865781124e+02 5.865746803e+02 1.935104220e+02 3.061088889e+02 5.272474173e+02 1.822441812e+02 2.914752156e+02 1.06 5.299697154e+02 2.642189829e+02 4.579195546e+02 5.299662622e+02 5.299628090e+02 1.746696103e+02 2.736809983e+02 4.734114890e+02 1.630497044e+02 2.631970953e+02 1.08 4.767621043e+02 2.322986462e+02 4.090468870e+02 4.767586301e+02 4.767551559e+02 1.569631223e+02 2.439633465e+02 4.235214300e+02 1.454256286e+02 2.366206584e+02 1.10 4.273842595e+02 2.040966798e+02 3.644628718e+02 4.273807644e+02 4.273772693e+02 1.405328151e+02 2.169549573e+02 3.777684544e+02 1.293799257e+02 2.119586857e+02 1.12 3.820210170e+02 1.792669811e+02 3.240910750e+02 3.820175011e+02 3.820139852e+02 1.254403088e+02 1.925738961e+02 3.361618052e+02 1.148711023e+02 1.893036017e+02 1.14 3.406856919e+02 1.574659886e+02 2.877538804e+02 3.406821552e+02 3.406786185e+02 1.116900492e+02 1.706856584e+02 2.985856693e+02 1.018252514e+02 1.686620700e+02 1.16 3.032727831e+02 1.383637722e+02 2.552100250e+02 3.032692258e+02 3.032656684e+02 9.924687705e+01 1.511240639e+02 2.648419223e+02 9.014863097e+01 1.499813464e+02 1.18 2.695977420e+02 1.216508721e+02 2.261820918e+02 2.695941641e+02 2.695905862e+02 8.804928375e+01 1.337064188e+02 2.346818743e+02 7.973680842e+01 1.331691628e+02 1.20 2.394267215e+02 1.070420974e+02 2.003763617e+02 2.394231232e+02 2.394195249e+02 7.801932780e+01 1.182443338e+02 2.078295515e+02 7.048120819e+01 1.181086017e+02 1.22 2.124985458e+02 9.427818647e+01 1.774968503e+02 2.124949272e+02 2.124913085e+02 6.906995799e+01 1.045512601e+02 1.839984863e+02 6.227369608e+01 1.046690809e+02 1.24 1.885406716e+02 8.312599552e+01 1.572549505e+02 1.885370327e+02 1.885333938e+02 6.111033395e+01 9.244755866e+01 1.629035496e+02 5.500968579e+01 9.271433482e+01 1.26 1.672805568e+02 7.337771075e+01 1.393757909e+02 1.672768979e+02 1.672732389e+02 5.404961571e+01 8.176374674e+01 1.442690326e+02 4.859015188e+01 8.210809814e+01 1.28 1.484535136e+02 6.484944030e+01 1.236021591e+02 1.484498347e+02 1.484461559e+02 4.779958120e+01 7.234239718e+01 1.278339111e+02 4.292283230e+01 7.271803255e+01 1.30 1.318079121e+02 5.737944262e+01 1.096966480e+02 1.318042135e+02 1.318005148e+02 4.227636102e+01 6.403906466e+01 1.133550202e+02 3.792284584e+01 6.441832873e+01 1.32 1.171083991e+02 5.082618344e+01 9.744251952e+01 1.171046808e+02 1.171009625e+02 3.740151124e+01 5.672252345e+01 1.006086979e+02 3.351288888e+01 5.709131555e+01 1.34 1.041376508e+02 4.506634356e+01 8.664366820e+01 1.041339131e+02 1.041301753e+02 3.310259775e+01 5.027453057e+01 8.939132789e+01 2.962314237e+01 5.062833659e+01 1.36 9.269706624e+01 3.999287665e+01 7.712397285e+01 9.269330919e+01 9.268955213e+01 2.931342723e+01 4.458926736e+01 7.951911307e+01 2.619098703e+01 4.493009662e+01 1.38 8.260669835e+01 3.551315567e+01 6.872624561e+01 8.260292217e+01 8.259914600e+01 2.597402436e+01 3.957257947e+01 7.082732546e+01 2.316058953e+01 3.990662740e+01 1.40 7.370467045e+01 3.154724725e+01 6.131094216e+01 7.370087534e+01 7.369708024e+01 2.303043721e+01 3.514110634e+01 6.316921398e+01 2.048241733e+01 3.547699574e+01 1.42 6.584625019e+01 2.802633157e+01 5.475474688e+01 6.584243635e+01 6.583862251e+01 2.043442858e+01 3.122136036e+01 5.641471742e+01 1.811271871e+01 3.156884056e+01 1.44 5.890270065e+01 2.489127207e+01 4.894911460e+01 5.889886828e+01 5.889503591e+01 1.814309304e+01 2.774879589e+01 5.044907707e+01 1.601299179e+01 2.811779842e+01 1.46 5.276002793e+01 2.209133447e+01 4.379882927e+01 5.275617724e+01 5.275232656e+01 1.611843947e+01 2.466690502e+01 4.517142739e+01 1.414946599e+01 2.506687729e+01 1.48 4.731768660e+01 1.958305703e+01 3.922061561e+01 4.731381782e+01 4.730994905e+01 1.432695954e+01 2.192635736e+01 4.049341135e+01 1.249260612e+01 2.236580932e+01 1.50 4.248729379e+01 1.732925402e+01 3.514183000e+01 4.248340715e+01 4.247952052e+01 1.273919905e+01 1.948419795e+01 3.633785462e+01 1.101664674e+01 1.997040786e+01 1.52 3.819139012e+01 1.529814307e+01 3.149924753e+01 3.818748587e+01 3.818358162e+01 1.132934496e+01 1.730310549e+01 3.263752201e+01 9.699163550e+00 1.784194793e+01 1.54 3.436226468e+01 1.346258691e+01 2.823794875e+01 3.435834307e+01 3.435442147e+01 1.007483367e+01 1.535071318e+01 2.933396631e+01 8.520679564e+00 1.594657872e+01 1.56 3.094086159e+01 1.179942777e+01 2.531031039e+01 3.093692289e+01 3.093298419e+01 8.955986585e+00 1.359899975e+01 2.637647537e+01 7.464305962e+00 1.425477685e+01 1.58 2.787577538e+01 1.028891575e+01 2.267509804e+01 2.787181986e+01 2.786786435e+01 7.955675197e+00 1.202374264e+01 2.372111667e+01 6.515421508e+00 1.274084409e+01 1.60 2.512233425e+01 8.914217085e+00 2.029665441e+01 2.511836220e+01 2.511439015e+01 7.059015543e+00 1.060399226e+01 2.132988560e+01 5.661385801e+00 1.138244896e+01 1.62 2.264177028e+01 7.660983231e+00 1.814417948e+01 2.263778199e+01 2.263379371e+01 6.253091599e+00 9.321546992e+00 1.916994411e+01 4.891269509e+00 1.016021187e+01 1.64 2.040048002e+01 6.516883950e+00 1.619109438e+01 2.039647580e+01 2.039247159e+01 5.526708806e+00 8.160572732e+00 1.721294521e+01 4.195560464e+00 9.057335389e+00 1.66 1.836936952e+01 5.471201875e+00 1.441448111e+01 1.836534970e+01 1.836132988e+01 4.870175763e+00 7.107299793e+00 1.543443854e+01 3.565946578e+00 8.059276769e+00 1.68 1.652327069e+01 4.514602842e+00 1.279459258e+01 1.651923560e+01 1.651520050e+01 4.275109661e+00 6.149755067e+00 1.381334754e+01 2.995163815e+00 7.153456130e+00 1.70 1.484042571e+01 3.638946333e+00 1.131442417e+01 1.483637568e+01 1.483232566e+01 3.734264437e+00 5.277526718e+00 1.233151218e+01 2.476863187e+00 6.328998659e+00 1.72 1.330203416e+01 2.837123499e+00 9.959329293e+00 1.329796956e+01 1.329390496e+01 3.241379816e+00 4.481557250e+00 1.097329034e+01 2.005493686e+00 5.576508191e+00 1.74 1.189185745e+01 2.102919296e+00 8.716599549e+00 1.188777864e+01 1.188369984e+01 2.791049449e+00 3.753962968e+00 9.725211790e+00 1.576199495e+00 4.887869398e+00 1.76 1.059587310e+01 1.430891151e+00 7.575123624e+00 1.059178048e+01 1.058768785e+01 2.378605684e+00 3.087881530e+00 8.575678333e+00 1.184728475e+00 4.256074965e+00 1.78 9.401974398e+00 8.162468686e-01 6.525173143e+00 9.397868345e+00 9.393762292e+00 2.000019440e+00 2.477336847e+00 7.514704676e+00 8.273555374e-01 3.675075381e+00 1.80 8.299709917e+00 2.546649264e-01 5.558222929e+00 8.295590848e+00 8.291471779e+00 1.651813394e+00 1.917120692e+00 6.533695695e+00 5.008155968e-01 3.139648736e+00 1.82 7.280057674e+00 -2.578102266e-01 4.666794633e+00 7.275926013e+00 7.271794351e+00 1.330986689e+00 1.402690955e+00 5.625256767e+00 2.022441672e-01 2.645287776e+00 1.84 6.335230208e+00 -7.248058077e-01 3.844321354e+00 6.331086392e+00 6.326942576e+00 1.034949965e+00 9.300838819e-01 4.783024667e+00 -7.087411802e-02 2.188102448e+00 1.86 5.458508442e+00 -1.149651824e+00 3.085030361e+00 5.454352923e+00 5.450197404e+00 7.614699795e-01 4.958387771e-01 4.001524585e+00 -3.207496120e-01 1.764736840e+00 1.88 4.644099035e+00 -1.535408633e+00 2.383841451e+00 4.639932281e+00 4.635765527e+00 5.086220564e-01 9.692296511e-02 3.276048896e+00 -5.493257289e-01 1.372297850e+00 1.90 3.887003929e+00 -1.884892400e+00 1.736279185e+00 3.882826422e+00 3.878648915e+00 2.747466009e-01 -2.693527909e-01 2.602550503e+00 -7.583138091e-01 1.008289964e+00 1.92 3.182912032e+00 -2.200698474e+00 1.138396849e+00 3.178724270e+00 3.174536509e+00 5.841299198e-02 -6.053847199e-01 1.977548575e+00 -9.492223131e-01 6.705610957e-01 1.94 2.528106816e+00 -2.485222656e+00 5.867106280e-01 2.523909314e+00 2.519711812e+00 -1.416112203e-01 -9.133107806e-01 1.397986110e+00 -1.123381896e+00 3.572563892e-01 1.96 1.919386839e+00 -2.740675349e+00 7.814264308e-02 1.915180126e+00 1.910973413e+00 -3.263868107e-01 -1.195040758e+00 8.610886772e-01 -1.281967135e+00 6.677847804e-02 1.98 1.353989834e+00 -2.969097733e+00 -3.900333856e-01 1.349774457e+00 1.345559080e+00 -4.968281839e-01 -1.452284244e+00 3.643200005e-01 -1.426017234e+00 -2.022504662e-01 2.00 8.294385598e-01 -3.172387942e+00 -8.202984166e-01 8.252150827e-01 8.209916057e-01 -6.537547635e-01 -1.686603584e+00 -9.467419663e-02 -1.556476155e+00 -4.510658112e-01 2.02 3.433985153e-01 -3.352324328e+00 -1.214986239e+00 3.391675191e-01 3.349365230e-01 -7.979384242e-01 -1.899467034e+00 -5.181181321e-01 -1.674228471e+00 -6.808316039e-01 2.04 -1.063429845e-01 -3.510571638e+00 -1.576300520e+00 -1.105809009e-01 -1.148188173e-01 -9.301104717e-01 -2.092259766e+00 -9.081172242e-01 -1.780106173e+00 -8.926510320e-01 2.06 -5.218829429e-01 -3.648691197e+00 -1.906321812e+00 -5.261271627e-01 -5.303713825e-01 -1.050963694e+00 -2.266287519e+00 -1.266664199e+00 -1.874893203e+00 -1.087569491e+00 2.08 -9.052085061e-01 -3.768147950e+00 -2.207014176e+00 -9.094583940e-01 -9.137082819e-01 -1.161154310e+00 -2.422780688e+00 -1.595646081e+00 -1.959328163e+00 -1.266577495e+00 2.10 -1.258202516e+00 -3.870316040e+00 -2.480231461e+00 -1.262457417e+00 -1.266712319e+00 -1.261303827e+00 -2.562898471e+00 -1.896851606e+00 -2.034106806e+00 -1.430613453e+00 2.12 -1.582648753e+00 -3.956484062e+00 -2.727723226e+00 -1.586907994e+00 -1.591167236e+00 -1.352000802e+00 -2.687732778e+00 -2.171972912e+00 -2.099884376e+00 -1.580566291e+00 2.14 -1.880237960e+00 -4.027860158e+00 -2.951140362e+00 -1.884500849e+00 -1.888763738e+00 -1.433802853e+00 -2.798312277e+00 -2.422610247e+00 -2.157278087e+00 -1.717278458e+00 2.16 -2.152576071e+00 -4.085577130e+00 -3.152040393e+00 -2.156841893e+00 -2.161107715e+00 -1.507239419e+00 -2.895607057e+00 -2.650277973e+00 -2.206870098e+00 -1.841550045e+00 2.18 -2.401184344e+00 -4.130696311e+00 -3.331892507e+00 -2.405452365e+00 -2.409720387e+00 -1.572811814e+00 -2.980530487e+00 -2.856407699e+00 -2.249208410e+00 -1.954138851e+00 2.20 -2.627502144e+00 -4.164211470e+00 -3.492082310e+00 -2.631771610e+00 -2.636041076e+00 -1.630994173e+00 -3.053941844e+00 -3.042352120e+00 -2.284808375e+00 -2.055761770e+00 2.22 -2.832891210e+00 -4.187050859e+00 -3.633916334e+00 -2.837161344e+00 -2.841431478e+00 -1.682234883e+00 -3.116649350e+00 -3.209389203e+00 -2.314154532e+00 -2.147096925e+00 2.24 -3.018639678e+00 -4.200081222e+00 -3.758626290e+00 -3.022909682e+00 -3.027179685e+00 -1.726957947e+00 -3.169413020e+00 -3.358726137e+00 -2.337702328e+00 -2.228785681e+00 2.26 -3.185965917e+00 -4.204113747e+00 -3.867373112e+00 -3.190234970e+00 -3.194504022e+00 -1.765564282e+00 -3.212947377e+00 -3.491503080e+00 -2.355879765e+00 -2.301434560e+00 2.28 -3.336022147e+00 -4.199907405e+00 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