# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # composition = C # 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 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 7.312313057e+01 nan nan nan nan 0.80 nan nan nan nan nan 6.640035868e+01 nan nan nan nan 0.82 nan nan nan nan nan 6.002576820e+01 nan nan 1.100663765e+02 nan 0.84 nan nan nan nan nan 5.400994661e+01 nan nan 9.971989535e+01 nan 0.86 nan nan nan nan nan 4.836187999e+01 nan nan 9.015334617e+01 nan 0.88 nan nan nan nan nan 4.308593743e+01 nan nan 8.132990484e+01 nan 0.90 nan 1.615529063e+02 nan nan nan 3.818127468e+01 nan nan 7.320982958e+01 1.149724552e+02 0.92 nan 1.469070864e+02 nan nan nan 3.364211608e+01 8.927616598e+01 nan 6.575189857e+01 1.048998969e+02 0.94 nan 1.334930224e+02 nan nan nan 2.945840512e+01 8.083405995e+01 nan 5.891448683e+01 9.555313090e+01 0.96 nan 1.212155542e+02 nan nan nan 2.561659861e+01 7.305083925e+01 nan 5.265641442e+01 8.689982090e+01 0.98 nan 1.099845454e+02 1.180875711e+02 nan nan 2.210049071e+01 6.588853957e+01 nan 4.693761228e+01 7.890435934e+01 1.00 nan 9.971562939e+01 1.078354213e+02 nan 1.872327867e+02 1.889200163e+01 5.930797856e+01 1.730678864e+02 4.171945493e+01 7.152905836e+01 1.02 1.730503889e+02 9.033014626e+01 9.837211839e+01 1.726397822e+02 1.722291755e+02 1.597189364e+01 5.326972951e+01 1.588936413e+02 3.696465552e+01 6.473519896e+01 1.04 1.591323717e+02 8.175514602e+01 8.964541874e+01 1.587440876e+02 1.583558035e+02 1.332039616e+01 4.773492890e+01 1.458133017e+02 3.263742570e+01 5.848392961e+01 1.06 1.462690316e+02 7.392349395e+01 8.160390996e+01 1.459019030e+02 1.455347745e+02 1.091773180e+01 4.266592254e+01 1.337470790e+02 2.870371493e+01 5.273701142e+01 1.08 1.343848172e+02 6.677382607e+01 7.419780668e+01 1.340377365e+02 1.336906558e+02 8.744544238e+00 3.802676176e+01 1.226188778e+02 2.513138814e+01 4.745741534e+01 1.10 1.234075636e+02 6.025006961e+01 6.737956219e+01 1.230794794e+02 1.227513953e+02 6.782232718e+00 3.378356391e+01 1.123570106e+02 2.189034481e+01 4.260978125e+01 1.12 1.132691589e+02 5.430057083e+01 6.110431365e+01 1.129590737e+02 1.126489885e+02 5.013201720e+00 2.990475385e+01 1.028946725e+02 1.895258461e+01 3.816075220e+01 1.14 1.039059935e+02 4.887771703e+01 5.533018193e+01 1.036129606e+02 1.033199276e+02 3.421035934e+00 2.636119859e+01 9.417020767e+01 1.629222717e+01 3.407919959e+01 1.16 9.525922031e+01 4.393769406e+01 5.001844576e+01 9.498234125e+01 9.470546218e+01 1.990610359e+00 2.312615469e+01 8.612720516e+01 1.388549240e+01 3.033635407e+01 1.18 8.727485865e+01 3.944024643e+01 4.513361168e+01 8.701328110e+01 8.675170354e+01 7.081464519e-01 2.017509451e+01 7.871436781e+01 1.171064882e+01 2.690585835e+01 1.20 7.990376916e+01 3.534844125e+01 4.064339768e+01 7.965668440e+01 7.940959963e+01 -4.387766910e-01 1.748562905e+01 7.188478085e+01 9.747936040e+00 2.376375517e+01 1.22 7.310130578e+01 3.162841008e+01 3.651850180e+01 7.286794655e+01 7.263458733e+01 -1.461320320e+00 1.503735222e+01 6.559523702e+01 7.979412495e+00 2.088831406e+01 1.24 6.682626778e+01 2.824902025e+01 3.273190396e+01 6.660590623e+01 6.638554467e+01 -2.369718871e+00 1.281145477e+01 5.980571208e+01 6.388633609e+00 1.825950795e+01 1.26 6.104033301e+01 2.518162186e+01 2.925848862e+01 6.083227868e+01 6.062422434e+01 -3.173453756e+00 1.079050141e+01 5.447903237e+01 4.960452954e+00 1.585873047e+01 1.28 5.570785304e+01 2.239963264e+01 2.607490866e+01 5.551145101e+01 5.531504898e+01 -3.881307744e+00 8.958330999e+00 4.958067329e+01 3.680565427e+00 1.366869405e+01 1.30 5.079567046e+01 1.987769347e+01 2.315946408e+01 5.061029956e+01 5.042492865e+01 -4.501413082e+00 7.299966578e+00 4.507857460e+01 2.535194652e+00 1.167333923e+01 1.32 4.627294821e+01 1.759250012e+01 2.049198858e+01 4.609801930e+01 4.592309038e+01 -5.041296602e+00 5.801531459e+00 4.094296844e+01 1.511825233e+00 9.857749852e+00 1.34 4.211101076e+01 1.552292036e+01 1.805374421e+01 4.194596513e+01 4.178091950e+01 -5.507921784e+00 4.450171337e+00 3.714621933e+01 5.991640819e-01 8.208074203e+00 1.36 3.828319649e+01 1.364977221e+01 1.582732328e+01 3.812750433e+01 3.797181218e+01 -5.907727928e+00 3.233981948e+00 3.366267544e+01 -2.129937287e-01 6.711451739e+00 1.38 3.476471963e+01 1.195562744e+01 1.379655677e+01 3.461787858e+01 3.447103753e+01 -6.246666870e+00 2.141941641e+00 3.046853012e+01 -9.338827618e-01 5.355944572e+00 1.40 3.153254198e+01 1.042438743e+01 1.194642918e+01 3.139407571e+01 3.125560944e+01 -6.530237143e+00 1.163848778e+00 2.754169303e+01 -1.571870605e+00 4.130473815e+00 1.42 2.856525333e+01 9.040300961e+00 1.026299919e+01 2.843471025e+01 2.830416717e+01 -6.763515842e+00 2.902635106e-01 2.486167022e+01 -2.134548882e+00 3.024760279e+00 1.44 2.584295972e+01 7.788971682e+00 8.733325540e+00 2.571991172e+01 2.559686372e+01 -6.951188450e+00 -4.875464678e-01 2.240945240e+01 -2.628813492e+00 2.029269070e+00 1.46 2.334717963e+01 6.657589949e+00 7.345398140e+00 2.323122089e+01 2.311526215e+01 -7.097576545e+00 -1.177656918e+00 2.016741107e+01 -3.060935407e+00 1.135158125e+00 1.48 2.106074702e+01 5.634738170e+00 6.088073800e+00 2.095149287e+01 2.084223873e+01 -7.206663696e+00 -1.787677832e+00 1.811920175e+01 -3.436623280e+00 3.342301700e-01 1.50 1.896772083e+01 4.710221460e+00 4.951016219e+00 1.886480670e+01 1.876189257e+01 -7.282119638e+00 -2.324923047e+00 1.624967354e+01 -3.761078958e+00 -3.811121018e-01 1.52 1.705330090e+01 3.874920154e+00 3.924640230e+00 1.695638127e+01 1.685946164e+01 -7.327322726e+00 -2.796099228e+00 1.454437755e+01 -4.039046653e+00 -1.017907680e+00 1.54 1.530374925e+01 3.120661312e+00 3.000059665e+00 1.521249670e+01 1.512124415e+01 -7.345380945e+00 -3.207313766e+00 1.298880403e+01 -4.274856729e+00 -1.582676176e+00 1.56 1.370610606e+01 2.440080317e+00 2.168898258e+00 1.362021034e+01 1.353431463e+01 -7.339221731e+00 -3.564201329e+00 1.156953553e+01 -4.472517367e+00 -2.081559483e+00 1.58 1.224679831e+01 1.826357783e+00 1.422362395e+00 1.216596547e+01 1.208513264e+01 -7.312051187e+00 -3.872415443e+00 1.027394451e+01 -4.636080085e+00 -2.521017066e+00 1.60 1.091286402e+01 1.273295229e+00 7.520575234e-01 1.083681556e+01 1.076076711e+01 -7.266941752e+00 -4.137244696e+00 9.090484067e+00 -4.769348832e+00 -2.907213503e+00 1.62 9.692717476e+00 7.753436468e-01 1.504986114e-01 9.621189596e+00 9.549661717e+00 -7.206573111e+00 -4.363378806e+00 8.008839846e+00 -4.875701648e+00 -3.245635496e+00 1.64 8.575996355e+00 3.275261724e-01 -3.889915570e-01 8.508739154e+00 8.441481953e+00 -7.133279441e+00 -4.554978066e+00 7.019788340e+00 -4.958140016e+00 -3.541168015e+00 1.66 7.553421421e+00 -7.462998145e-02 -8.723756308e-01 7.490198214e+00 7.426975006e+00 -7.049092642e+00 -4.715736187e+00 6.115070370e+00 -5.019333459e+00 -3.798164098e+00 1.68 6.616673028e+00 -4.351528428e-01 -1.304983792e+00 6.557259663e+00 6.497846298e+00 -6.955780223e+00 -4.848935490e+00 5.287279807e+00 -5.061658593e+00 -4.020506297e+00 1.70 5.758281992e+00 -7.576774472e-01 -1.691586272e+00 5.702466206e+00 5.646650421e+00 -6.854878581e+00 -4.957495500e+00 4.529765558e+00 -5.087233412e+00 -4.211660939e+00 1.72 4.971533251e+00 -1.045491019e+00 -2.036457350e+00 4.919114060e+00 4.866694868e+00 -6.747722210e+00 -5.044015699e+00 3.836545227e+00 -5.097947402e+00 -4.374726003e+00 1.74 4.250380966e+00 -1.301572415e+00 -2.343431730e+00 4.201168082e+00 4.151955197e+00 -6.635469271e+00 -5.110813080e+00 3.202229124e+00 -5.095487927e+00 -4.512473286e+00 1.76 3.589373447e+00 -1.528626606e+00 -2.615954379e+00 3.543186727e+00 3.497000007e+00 -6.519124048e+00 -5.159955235e+00 2.621953297e+00 -5.081363452e+00 -4.627385671e+00 1.78 2.983586921e+00 -1.729114819e+00 -2.857124472e+00 2.940255846e+00 2.896924770e+00 -6.399556611e+00 -5.193289425e+00 2.091320571e+00 -5.056923926e+00 -4.721689969e+00 1.80 2.428567107e+00 -1.905280919e+00 -3.069734145e+00 2.387930283e+00 2.347293459e+00 -6.277520015e+00 -5.212468148e+00 1.606348597e+00 -5.023378688e+00 -4.797385881e+00 1.82 1.920277531e+00 -2.059174525e+00 -3.256302758e+00 1.882182218e+00 1.844086904e+00 -6.153665390e+00 -5.218971653e+00 1.163424042e+00 -4.981812243e+00 -4.856271595e+00 1.84 1.455053948e+00 -2.192671265e+00 -3.419107091e+00 1.419355610e+00 1.383657272e+00 -6.028555120e+00 -5.214127716e+00 7.592622506e-01 -4.933198121e+00 -4.899966329e+00 1.86 1.029564071e+00 -2.307490566e+00 -3.560208013e+00 9.961259533e-01 9.626878359e-01 -5.902674359e+00 -5.199129048e+00 3.908716789e-01 -4.878411081e+00 -4.929930238e+00 1.88 6.407719574e-01 -2.405211290e+00 -3.681474046e+00 6.094646806e-01 5.781574038e-01 -5.776441118e+00 -5.175048610e+00 5.552250939e-02 -4.818237874e+00 -4.947481994e+00 1.90 2.859065851e-01 -2.487285490e+00 -3.784602149e+00 2.566077616e-01 2.273089381e-01 -5.650215050e+00 -5.142853081e+00 -2.492810127e-01 -4.753386718e+00 -4.953814284e+00 1.92 -3.756595257e-02 -2.555050540e+00 -3.871136088e+00 -6.497208205e-02 -9.237821153e-02 -5.524305122e+00 -5.103414708e+00 -5.258249981e-01 -4.684495663e+00 -4.950007499e+00 1.94 -3.319670355e-01 -2.609739847e+00 -3.942482670e+00 -3.575899477e-01 -3.832128599e-01 -5.398976315e+00 -5.057521740e+00 -7.762074719e-01 -4.612139977e+00 -4.937041826e+00 1.96 -5.994272396e-01 -2.652492320e+00 -3.999926072e+00 -6.233704569e-01 -6.473136741e-01 -5.274455437e+00 -5.005887603e+00 -1.002357410e+00 -4.536838667e+00 -4.915807914e+00 1.98 -8.419055876e-01 -2.684360770e+00 -4.044640526e+00 -8.642669891e-01 -8.866283907e-01 -5.150936211e+00 -4.949158985e+00 -1.206051571e+00 -4.459060253e+00 -4.887116307e+00 2.00 -1.061206581e+00 -2.706319368e+00 -4.077701530e+00 -1.082078698e+00 -1.102950816e+00 -5.028583681e+00 -4.887922952e+00 -1.388929380e+00 -4.379227881e+00 -4.851705775e+00 2.02 -1.258995278e+00 -2.719270280e+00 -4.100095761e+00 -1.278465577e+00 -1.297935875e+00 -4.907538046e+00 -4.822713218e+00 -1.552506095e+00 -4.297723845e+00 -4.810250678e+00 2.04 -1.436810681e+00 -2.724049600e+00 -4.112729866e+00 -1.454961825e+00 -1.473112968e+00 -4.787917993e+00 -4.754015679e+00 -1.698184478e+00 -4.214893610e+00 -4.763367486e+00 2.06 -1.596077593e+00 -2.721432646e+00 -4.116438235e+00 -1.612987697e+00 -1.629897802e+00 -4.669823585e+00 -4.682273280e+00 -1.827265143e+00 -4.131049388e+00 -4.711620537e+00 2.08 -1.738117150e+00 -2.712138713e+00 -4.111989897e+00 -1.753860022e+00 -1.769602895e+00 -4.553338761e+00 -4.607890322e+00 -1.940955740e+00 -4.046473306e+00 -4.655527148e+00 2.10 -1.864156188e+00 -2.696835357e+00 -4.100094644e+00 -1.878801554e+00 -1.893446920e+00 -4.438533508e+00 -4.531236265e+00 -2.040379115e+00 -3.961420247e+00 -4.595562135e+00 2.12 -1.975335562e+00 -2.676142251e+00 -4.081408460e+00 -1.988949283e+00 -2.002563004e+00 -4.325465731e+00 -4.452649083e+00 -2.126580581e+00 -3.876120372e+00 -4.532161830e+00 2.14 -2.072717570e+00 -2.650634672e+00 -4.056538351e+00 -2.085361846e+00 -2.098006122e+00 -4.214182874e+00 -4.372438242e+00 -2.200534390e+00 -3.790781380e+00 -4.465727637e+00 2.16 -2.157292565e+00 -2.620846676e+00 -4.026046648e+00 -2.169026129e+00 -2.180759694e+00 -4.104723321e+00 -4.290887335e+00 -2.263149521e+00 -3.705590533e+00 -4.396629205e+00 2.18 -2.229984861e+00 -2.587273974e+00 -3.990454836e+00 -2.240863166e+00 -2.251741471e+00 -3.997117599e+00 -4.208256417e+00 -2.315274845e+00 -3.620716466e+00 -4.325207240e+00 2.20 -2.291658022e+00 -2.550376565e+00 -3.950246977e+00 -2.301733411e+00 -2.311808800e+00 -3.891389421e+00 -4.124784086e+00 -2.357703769e+00 -3.536310820e+00 -4.251776017e+00 2.22 -2.343119596e+00 -2.510581143e+00 -3.905872766e+00 -2.352441471e+00 -2.361763347e+00 -3.787556577e+00 -4.040689331e+00 -2.391178394e+00 -3.452509711e+00 -4.176625619e+00 2.24 -2.385125367e+00 -2.468283309e+00 -3.857750266e+00 -2.393740346e+00 -2.402355326e+00 -3.685631708e+00 -3.956173180e+00 -2.416393266e+00 -3.369435054e+00 -4.100023941e+00 2.26 -2.418383181e+00 -2.423849599e+00 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