# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Ackland-G-J-Mendelev-M-I-Srolovitz-D-J-et-al--Fe-P # implementation = 2004--Ackland-G-J--Fe-P--LAMMPS--ipr1 # composition = P # 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 2024-11-27 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 2.638071278e+03 nan 0.70 nan nan nan nan nan nan nan nan 2.353991286e+03 nan 0.72 nan nan nan nan nan nan nan nan 2.102906323e+03 nan 0.74 nan nan nan nan nan 1.592547266e+03 nan nan 1.880260974e+03 nan 0.76 nan nan nan nan nan 1.421368610e+03 nan nan 1.682303988e+03 nan 0.78 nan nan nan nan nan 1.268796045e+03 nan nan 1.505876275e+03 nan 0.80 nan nan nan nan nan 1.132397062e+03 nan nan 1.348293592e+03 nan 0.82 nan nan nan nan nan 1.010045551e+03 nan nan 1.207220472e+03 nan 0.84 nan nan nan 2.596266815e+03 2.596156916e+03 8.999785009e+02 nan nan 1.080634771e+03 1.642291122e+03 0.86 nan 1.463897178e+03 nan 2.365071722e+03 2.364935753e+03 8.006572277e+02 1.505589334e+03 nan 9.667863742e+02 1.484212844e+03 0.88 nan 1.322518099e+03 nan 2.156089650e+03 2.155970674e+03 7.110169402e+02 1.360978214e+03 nan 8.641439088e+02 1.341501860e+03 0.90 nan 1.194578933e+03 nan 1.966714046e+03 1.966644824e+03 6.323263625e+02 1.230136214e+03 nan 7.713478653e+02 1.212486677e+03 0.92 nan 1.078596242e+03 nan 1.794809955e+03 1.794813247e+03 5.637693009e+02 1.111632970e+03 nan 6.874013661e+02 1.095715150e+03 0.94 nan 9.733180693e+02 nan 1.638571035e+03 1.638647834e+03 5.038942406e+02 1.004173242e+03 nan 6.134008753e+02 9.898771872e+02 0.96 1.496223733e+03 8.776167054e+02 1.321125780e+03 1.496328735e+03 1.496464432e+03 4.514180490e+02 9.065498178e+02 1.372618670e+03 5.486275164e+02 8.937433405e+02 0.98 1.366443622e+03 7.904939061e+02 1.203274293e+03 1.366600531e+03 1.366776219e+03 4.052801229e+02 8.177192220e+02 1.251295172e+03 4.917604424e+02 8.062052644e+02 1.00 1.247900486e+03 7.110643731e+02 1.095555013e+03 1.248085930e+03 1.248271103e+03 3.646225553e+02 7.367675358e+02 1.140511396e+03 4.416894172e+02 7.262760719e+02 1.02 1.139475633e+03 6.392192513e+02 9.969827799e+02 1.139644919e+03 1.139801246e+03 3.287198553e+02 6.631599503e+02 1.039198455e+03 3.974859326e+02 6.537369582e+02 1.04 1.040161496e+03 5.757453079e+02 9.066722694e+02 1.040277908e+03 1.040375187e+03 2.969451128e+02 5.978698183e+02 9.464017090e+02 3.583702643e+02 5.894726813e+02 1.06 9.490534838e+02 5.195834428e+02 8.238551243e+02 9.490960914e+02 9.491210450e+02 2.687647347e+02 5.400637483e+02 8.612837423e+02 3.236799787e+02 5.325039069e+02 1.08 8.653219733e+02 4.697622519e+02 7.478474697e+02 8.652892267e+02 8.652450759e+02 2.437253489e+02 4.887345472e+02 7.830829919e+02 2.928512510e+02 4.818603617e+02 1.10 7.882381468e+02 4.254724518e+02 6.780577108e+02 7.881472983e+02 7.880518578e+02 2.214326555e+02 4.430297646e+02 7.111297012e+02 2.654014111e+02 4.367288123e+02 1.12 7.172071199e+02 3.860272849e+02 6.152859423e+02 7.170727641e+02 7.169435313e+02 2.015415212e+02 4.022214092e+02 6.453585439e+02 2.409182636e+02 3.964408941e+02 1.14 6.520501214e+02 3.508258072e+02 5.593714658e+02 6.518940093e+02 6.517549780e+02 1.837538742e+02 3.657005305e+02 5.865955107e+02 2.190452534e+02 3.604115939e+02 1.16 5.936538157e+02 3.193416692e+02 5.094458001e+02 5.935031834e+02 5.933769188e+02 1.678115466e+02 3.329481890e+02 5.340699332e+02 1.994710941e+02 3.281401270e+02 1.18 5.413522963e+02 2.911222220e+02 4.647550714e+02 5.412358358e+02 5.411379821e+02 1.534918874e+02 3.035280982e+02 4.870129080e+02 1.819234200e+02 2.991904595e+02 1.20 4.944113866e+02 2.657772426e+02 4.246442619e+02 4.943474431e+02 4.942889410e+02 1.406022267e+02 2.770666552e+02 4.447755259e+02 1.661632347e+02 2.731816342e+02 1.22 4.521994221e+02 2.429651307e+02 3.885403566e+02 4.521919177e+02 4.521779736e+02 1.289725659e+02 2.532333270e+02 4.067966532e+02 1.519820658e+02 2.497799033e+02 1.24 4.141781770e+02 2.223915333e+02 3.559557399e+02 4.142176917e+02 4.142437413e+02 1.184528844e+02 2.317382522e+02 3.725871184e+02 1.391969830e+02 2.286953609e+02 1.26 3.798782735e+02 2.038002430e+02 3.264789254e+02 3.799457337e+02 3.799985998e+02 1.089128776e+02 2.123300429e+02 3.417172226e+02 1.276489960e+02 2.096719180e+02 1.28 3.488808846e+02 1.869680483e+02 2.997672360e+02 3.489580758e+02 3.490232943e+02 1.002425816e+02 1.947878814e+02 3.138098960e+02 1.172012112e+02 1.924803777e+02 1.30 3.208190667e+02 1.717020918e+02 2.755364644e+02 3.208932962e+02 3.209606063e+02 9.234907003e+01 1.789147595e+02 2.885337857e+02 1.077332996e+02 1.769198450e+02 1.32 2.953690875e+02 1.578388794e+02 2.535338366e+02 2.954319552e+02 2.954944486e+02 8.515037002e+01 1.645332022e+02 2.655957137e+02 9.913908795e+01 1.628130033e+02 1.34 2.722433847e+02 1.452351479e+02 2.335312377e+02 2.722910377e+02 2.723437657e+02 7.857304915e+01 1.514848688e+02 2.447368129e+02 9.132547634e+01 1.500024886e+02 1.36 2.511895794e+02 1.337629611e+02 2.153263421e+02 2.512215634e+02 2.512614452e+02 7.255324948e+01 1.396291855e+02 2.257342724e+02 8.421058807e+01 1.383506766e+02 1.38 2.319853715e+02 1.233098706e+02 1.987377681e+02 2.320037599e+02 2.320302683e+02 6.703462616e+01 1.288412877e+02 2.083958732e+02 7.772273402e+01 1.277367362e+02 1.40 2.144340600e+02 1.137769535e+02 1.836025402e+02 2.144438987e+02 2.144595607e+02 6.196735965e+01 1.190113938e+02 1.925567010e+02 7.179811622e+01 1.180533068e+02 1.42 1.983740283e+02 1.050762529e+02 1.697749651e+02 1.983803413e+02 1.983883286e+02 5.730743321e+01 1.100418563e+02 1.780756841e+02 6.637952031e+01 1.092073320e+02 1.44 1.836706686e+02 9.712956915e+01 1.571274779e+02 1.836754533e+02 1.836778960e+02 5.301632828e+01 1.018459325e+02 1.648277262e+02 6.141629944e+01 1.011180955e+02 1.46 1.702012625e+02 8.986575012e+01 1.455461248e+02 1.702038952e+02 1.702020916e+02 4.905990777e+01 9.434650673e+01 1.526975963e+02 5.686345562e+01 9.371263147e+01 1.48 1.578519384e+02 8.321982341e+01 1.349283983e+02 1.578509457e+02 1.578458420e+02 4.540779346e+01 8.747524819e+01 1.415814697e+02 5.268104867e+01 8.692459991e+01 1.50 1.465202190e+02 7.713316327e+01 1.251851009e+02 1.465150475e+02 1.465074830e+02 4.203405926e+01 8.117223468e+01 1.313850274e+02 4.883391656e+01 8.069482944e+01 1.52 1.361132809e+02 7.155330107e+01 1.162394471e+02 1.361043766e+02 1.360952243e+02 3.891680463e+01 7.538424432e+01 1.220229867e+02 4.529103300e+01 7.497063715e+01 1.54 1.265469776e+02 6.643296128e+01 1.080216088e+02 1.265353895e+02 1.265255115e+02 3.603618083e+01 7.006302285e+01 1.134182161e+02 4.202448930e+01 6.970489812e+01 1.56 1.177448105e+02 6.172943669e+01 1.004659984e+02 1.177318921e+02 1.177220875e+02 3.337276767e+01 6.516462159e+01 1.055015727e+02 3.900858477e+01 6.485520109e+01 1.58 1.096374256e+02 5.740430762e+01 9.351298159e+01 1.096248126e+02 1.096158532e+02 3.090930182e+01 6.064985261e+01 9.821099461e+01 3.622044692e+01 6.038339131e+01 1.60 1.021621189e+02 5.342299672e+01 8.710840782e+01 1.021517140e+02 1.021443447e+02 2.863016620e+01 5.648364581e+01 9.149099633e+01 3.363982996e+01 5.625508370e+01 1.62 9.526373113e+01 4.975411488e+01 8.120312265e+01 9.525695751e+01 9.525170263e+01 2.652110103e+01 5.263458865e+01 8.529204139e+01 3.124872220e+01 5.243919460e+01 1.64 8.889320576e+01 4.636922885e+01 7.575257455e+01 8.889061907e+01 8.888769902e+01 2.456904593e+01 4.907451866e+01 7.956952474e+01 2.903111490e+01 4.890770699e+01 1.66 8.300581291e+01 4.324263277e+01 7.071700735e+01 8.300734825e+01 8.300689552e+01 2.276206429e+01 4.577832211e+01 7.428283318e+01 2.697259856e+01 4.563545483e+01 1.68 7.756068794e+01 4.035107725e+01 6.606077211e+01 7.756583387e+01 7.756796552e+01 2.108931895e+01 4.272397465e+01 6.939478891e+01 2.506001375e+01 4.259977337e+01 1.70 7.252043805e+01 3.767350574e+01 6.175191976e+01 7.252848889e+01 7.253322308e+01 1.954097994e+01 3.989166101e+01 6.487130938e+01 2.328093396e+01 3.978019015e+01 1.72 6.785120748e+01 3.519080087e+01 5.776165609e+01 6.786139254e+01 6.786855344e+01 1.810805983e+01 3.726311811e+01 6.068175680e+01 2.162434602e+01 3.715854874e+01 1.74 6.352283325e+01 3.288555067e+01 5.406361412e+01 6.353428621e+01 6.354345879e+01 1.678226543e+01 3.482096901e+01 5.679856275e+01 2.008045919e+01 3.471919132e+01 1.76 5.950785073e+01 3.074193875e+01 5.063357796e+01 5.951966875e+01 5.953025154e+01 1.555589222e+01 3.254971007e+01 5.319651761e+01 1.864045877e+01 3.244804790e+01 1.78 5.578079886e+01 2.874568821e+01 4.744923232e+01 5.579219377e+01 5.580349205e+01 1.442172385e+01 3.043520511e+01 4.985241484e+01 1.729637811e+01 3.033184836e+01 1.80 5.231780046e+01 2.688396250e+01 4.449003144e+01 5.232828322e+01 5.233966797e+01 1.337298970e+01 2.846446786e+01 4.674477597e+01 1.604099117e+01 2.835750180e+01 1.82 4.909733536e+01 2.514527773e+01 4.173722061e+01 4.910669068e+01 4.911763983e+01 1.240339713e+01 2.662558689e+01 4.385433924e+01 1.486776003e+01 2.651364680e+01 1.84 4.609980801e+01 2.351935388e+01 3.917372555e+01 4.610797997e+01 4.611806417e+01 1.150708057e+01 2.490765000e+01 4.116358491e+01 1.377076287e+01 2.478998474e+01 1.86 4.330733653e+01 2.199696165e+01 3.678400786e+01 4.331431722e+01 4.332319317e+01 1.067850985e+01 2.330070448e+01 3.865650573e+01 1.274463172e+01 2.317710955e+01 1.88 4.070358962e+01 2.056976887e+01 3.455383845e+01 4.070937392e+01 4.071678538e+01 9.912430721e+00 2.179568526e+01 3.631845512e+01 1.178452503e+01 2.166642811e+01 1.90 3.827370355e+01 1.923019887e+01 3.247015855e+01 3.827827478e+01 3.828404099e+01 9.203834619e+00 2.038438349e+01 3.413605739e+01 1.088607648e+01 2.025010689e+01 1.92 3.600425383e+01 1.797137851e+01 3.052107592e+01 3.600754078e+01 3.601151258e+01 8.548043230e+00 1.905942552e+01 3.209706046e+01 1.004533203e+01 1.892105247e+01 1.94 3.388291109e+01 1.678706523e+01 2.869581634e+01 3.388479731e+01 3.388686343e+01 7.940744702e+00 1.781420600e+01 3.019011055e+01 9.258669074e+00 1.767281539e+01 1.96 3.189827630e+01 1.567156845e+01 2.698461716e+01 3.189862153e+01 3.189872542e+01 7.377968801e+00 1.664277805e+01 2.840465275e+01 8.522750541e+00 1.649953213e+01 1.98 3.003976542e+01 1.461971145e+01 2.537862261e+01 3.003843138e+01 3.003658696e+01 6.856061259e+00 1.553975250e+01 2.673090177e+01 7.834431333e+00 1.539587885e+01 2.00 2.829749724e+01 1.362676233e+01 2.386978314e+01 2.829440154e+01 2.829070797e+01 6.371659798e+00 1.450025538e+01 2.515979202e+01 7.190706576e+00 1.435702651e+01 2.02 2.666219158e+01 1.268846618e+01 2.245075899e+01 2.665738367e+01 2.665203840e+01 5.921669487e+00 1.351971606e+01 2.368297879e+01 6.588754193e+00 1.337859718e+01 2.04 2.512520211e+01 1.180103544e+01 2.111482680e+01 2.511889534e+01 2.511218885e+01 5.503239292e+00 1.259392563e+01 2.229285434e+01 6.025940535e+00 1.245662144e+01 2.06 2.367863116e+01 1.096090758e+01 1.985578951e+01 2.367116012e+01 2.366344254e+01 5.113739595e+00 1.171916483e+01 2.098252470e+01 5.499656951e+00 1.158749688e+01 2.08 2.231529916e+01 1.016481778e+01 1.866791280e+01 2.230706369e+01 2.229870758e+01 4.750740439e+00 1.089202857e+01 1.974574674e+01 5.007568799e+00 1.076794757e+01 2.10 2.102869055e+01 9.410094913e+00 1.754593804e+01 2.102011583e+01 2.101149815e+01 4.411990364e+00 1.010940458e+01 1.857685889e+01 4.547552009e+00 9.994984436e+00 2.12 1.981290186e+01 8.694391327e+00 1.648502425e+01 1.980440443e+01 1.979589723e+01 4.095396508e+00 9.368459260e+00 1.747072761e+01 4.117637984e+00 9.265860704e+00 2.14 1.866258252e+01 8.015632395e+00 1.548070554e+01 1.865454566e+01 1.864650794e+01 3.799026962e+00 8.666638959e+00 1.642269514e+01 3.715994414e+00 8.578012105e+00 2.16 1.757287066e+01 7.371993549e+00 1.452893057e+01 1.756564289e+01 1.755841513e+01 3.521137920e+00 8.001660404e+00 1.542855247e+01 3.340906533e+00 7.929029595e+00 2.18 1.653934794e+01 6.761774344e+00 1.362593534e+01 1.653324527e+01 1.652714260e+01 3.260171169e+00 7.371488173e+00 1.448452051e+01 2.990758697e+00 7.316630582e+00 2.20 1.555801387e+01 6.183385045e+00 1.276813225e+01 1.555331727e+01 1.554862067e+01 3.014742703e+00 6.774306130e+00 1.358721417e+01 2.664008168e+00 6.738672606e+00 2.22 1.462527203e+01 5.635384046e+00 1.195248913e+01 1.462221228e+01 1.461915253e+01 2.783574992e+00 6.208481123e+00 1.273360597e+01 2.359185278e+00 6.193199077e+00 2.24 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