# 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 = FeSi3 # 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 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 2.822401436e+03 nan nan 0.92 2.623273456e+03 nan nan 0.94 2.464416287e+03 nan nan 0.96 2.329561408e+03 nan nan 0.98 2.208123576e+03 4.657901497e+02 nan 1.00 2.093524939e+03 4.359751097e+02 nan 1.02 1.981967920e+03 4.166457376e+02 2.498680789e+03 1.04 1.871534932e+03 4.152341260e+02 2.325754894e+03 1.06 1.761535531e+03 4.232517373e+02 2.181839483e+03 1.08 1.652039743e+03 4.347682755e+02 2.056793979e+03 1.10 1.543550476e+03 4.459291517e+02 1.943693038e+03 1.12 1.436778942e+03 4.543883661e+02 1.837967702e+03 1.14 1.332495577e+03 4.588762115e+02 1.736749427e+03 1.16 1.231435595e+03 4.588722000e+02 1.638372554e+03 1.18 1.134243468e+03 4.543604048e+02 1.542000942e+03 1.20 1.041444552e+03 4.456484068e+02 1.447350525e+03 1.22 9.534351685e+02 4.332353295e+02 1.354485962e+03 1.24 8.704847343e+02 4.177175098e+02 1.263674175e+03 1.26 7.927453233e+02 3.997226625e+02 1.175281026e+03 1.28 7.202653818e+02 3.798655332e+02 1.089700586e+03 1.30 6.530053061e+02 3.587194914e+02 1.007308655e+03 1.32 5.908533438e+02 3.367998152e+02 9.284341292e+02 1.34 5.336408233e+02 3.145553876e+02 8.533432699e+02 1.36 4.811561102e+02 2.923662771e+02 7.822330621e+02 1.38 4.331569714e+02 2.705453458e+02 7.152308565e+02 1.40 3.893812216e+02 2.493424336e+02 6.523980978e+02 1.42 3.495556574e+02 2.289500853e+02 5.937365739e+02 1.44 3.134033703e+02 2.095100753e+02 5.391960501e+02 1.46 2.806495784e+02 1.911201668e+02 4.886824292e+02 1.48 2.510261421e+02 1.738407577e+02 4.420659011e+02 1.50 2.242749389e+02 1.577011631e+02 3.991886969e+02 1.52 2.001502693e+02 1.427053786e+02 3.598721988e+02 1.54 1.784204542e+02 1.288372593e+02 3.239232986e+02 1.56 1.588687156e+02 1.160650720e+02 2.911399325e+02 1.58 1.412934812e+02 1.043454305e+02 2.613157953e+02 1.60 1.255083901e+02 9.362664232e+01 2.342442705e+02 1.62 1.113420126e+02 8.385150662e+01 2.097216260e+02 1.64 9.863733953e+01 7.495961554e+01 1.875495484e+02 1.66 8.725110578e+01 6.688921344e+01 1.675370892e+02 1.68 7.705300681e+01 5.957866801e+01 1.495020989e+02 1.70 6.792485038e+01 5.296760759e+01 1.332722247e+02 1.72 5.975967893e+01 4.699777334e+01 1.186855375e+02 1.74 5.246085479e+01 4.161363341e+01 1.055908576e+02 1.76 4.594105283e+01 3.676279922e+01 9.384783042e+01 1.78 4.012135882e+01 3.239628077e+01 8.332680705e+01 1.80 3.493049048e+01 2.846861365e+01 7.390857231e+01 1.82 3.030409035e+01 2.493788361e+01 6.548395660e+01 1.84 2.618408278e+01 2.176567365e+01 5.795336524e+01 1.86 2.251808931e+01 1.891695265e+01 5.122625114e+01 1.88 1.925889687e+01 1.635992090e+01 4.522055071e+01 1.90 1.636396559e+01 1.406580461e+01 3.986206903e+01 1.92 1.379496565e+01 1.200859237e+01 3.508380123e+01 1.94 1.151731381e+01 1.016480490e+01 3.082532534e+01 1.96 9.499670922e+00 8.513237398e+00 2.703217365e+01 1.98 7.713834191e+00 7.034725644e+00 2.365525794e+01 2.00 6.134493589e+00 5.711954720e+00 2.065037536e+01 2.02 4.738952626e+00 4.529286304e+00 1.797775777e+01 2.04 3.506875074e+00 3.472601412e+00 1.560165885e+01 2.06 2.420055184e+00 2.529157850e+00 1.348997678e+01 2.08 1.462209212e+00 1.687460744e+00 1.161390930e+01 2.10 6.187863074e-01 9.371447217e-01 9.947638231e+00 2.12 -1.232030456e-01 2.688671965e-01 8.468041794e+00 2.14 -7.751006189e-01 -3.257886809e-01 7.154432064e+00 2.16 -1.346153669e+00 -8.544021831e-01 5.988315616e+00 2.18 -1.844517535e+00 -1.323794868e+00 4.953175927e+00 2.20 -2.277583599e+00 -1.740103236e+00 4.034275272e+00 2.22 -2.652045919e+00 -2.108844611e+00 3.218474913e+00 2.24 -2.973962582e+00 -2.434976849e+00 2.494072110e+00 2.26 -3.248812148e+00 -2.722952631e+00 1.850652261e+00 2.28 -3.481545546e+00 -2.976768614e+00 1.278955265e+00 2.30 -3.676633749e+00 -3.200009997e+00 7.707547344e-01 2.32 -3.838111532e+00 -3.395890997e+00 3.187488669e-01 2.34 -3.969617609e+00 -3.567291434e+00 -8.353783035e-02 2.36 -4.074432613e+00 -3.716793174e+00 -4.418479776e-01 2.38 -4.155547867e+00 -3.846789375e+00 -7.613897914e-01 2.40 -4.215693479e+00 -3.959206070e+00 -1.046450255e+00 2.42 -4.257320610e+00 -4.055484476e+00 -1.300395937e+00 2.44 -4.282626223e+00 -4.136940767e+00 -1.526236919e+00 2.46 -4.293578087e+00 -4.204789852e+00 -1.726683925e+00 2.48 -4.291937516e+00 -4.260153275e+00 -1.904179153e+00 2.50 -4.279279994e+00 -4.304066481e+00 -2.060923893e+00 2.52 -4.257013877e+00 -4.337485495e+00 -2.198903294e+00 2.54 -4.226397332e+00 -4.361293094e+00 -2.319908558e+00 2.56 -4.188553651e+00 -4.376304468e+00 -2.425556809e+00 2.58 -4.144485089e+00 -4.383272452e+00 -2.517308891e+00 2.60 -4.095085347e+00 -4.382892334e+00 -2.596485304e+00 2.62 -4.041150828e+00 -4.375806290e+00 -2.664280458e+00 2.64 -3.983390771e+00 -4.362607471e+00 -2.721775446e+00 2.66 -3.922436369e+00 -4.343843766e+00 -2.769949464e+00 2.68 -3.858848959e+00 -4.320021267e+00 -2.809690041e+00 2.70 -3.793127382e+00 -4.291607474e+00 -2.841802188e+00 2.72 -3.725714582e+00 -4.259034232e+00 -2.867016600e+00 2.74 -3.657003528e+00 -4.222700456e+00 -2.885996988e+00 2.76 -3.587342509e+00 -4.182974630e+00 -2.899346659e+00 2.78 -3.517039887e+00 -4.140197118e+00 -2.907614396e+00 2.80 -3.446368340e+00 -4.094682290e+00 -2.911299742e+00 2.82 -3.375568660e+00 -4.046720492e+00 -2.910857731e+00 2.84 -3.304853151e+00 -3.996579849e+00 -2.906703123e+00 2.86 -3.234408654e+00 -3.944507943e+00 -2.899214219e+00 2.88 -3.164399263e+00 -3.890733347e+00 -2.888736275e+00 2.90 -3.094968738e+00 -3.835467054e+00 -2.875584567e+00 2.92 -3.026242662e+00 -3.778903782e+00 -2.860047155e+00 2.94 -2.958330371e+00 -3.721223191e+00 -2.842387357e+00 2.96 -2.891326664e+00 -3.662590996e+00 -2.822845982e+00 2.98 -2.825313342e+00 -3.603160003e+00 -2.801643336e+00 3.00 -2.760360570e+00 -3.543071057e+00 -2.778981032e+00 3.02 -2.696528097e+00 -3.482453926e+00 -2.755043622e+00 3.04 -2.633866342e+00 -3.421428108e+00 -2.730000068e+00 3.06 -2.572417367e+00 -3.360103587e+00 -2.704005070e+00 3.08 -2.512215738e+00 -3.298581522e+00 -2.677200267e+00 3.10 -2.453289301e+00 -3.236954889e+00 -2.649715327e+00 3.12 -2.395659874e+00 -3.175309073e+00 -2.621668930e+00 3.14 -2.339343856e+00 -3.113722411e+00 -2.593169660e+00 3.16 -2.284352788e+00 -3.052266704e+00 -2.564316815e+00 3.18 -2.230693841e+00 -2.991007676e+00 -2.535201149e+00 3.20 -2.178370259e+00 -2.930005413e+00 -2.505905536e+00 3.22 -2.127381759e+00 -2.869314757e+00 -2.476505584e+00 3.24 -2.077724883e+00 -2.808985678e+00 -2.447070193e+00 3.26 -2.029393324e+00 -2.749063612e+00 -2.417662063e+00 3.28 -1.982378213e+00 -2.689589779e+00 -2.388338164e+00 3.30 -1.936668380e+00 -2.630601475e+00 -2.359150158e+00 3.32 -1.892250591e+00 -2.572132336e+00 -2.330144797e+00 3.34 -1.849109767e+00 -2.514212594e+00 -2.301364281e+00 3.36 -1.807229173e+00 -2.456869299e+00 -2.272846589e+00 3.38 -1.766590602e+00 -2.400126539e+00 -2.244625790e+00 3.40 -1.727174536e+00 -2.344005628e+00 -2.216732324e+00 3.42 -1.688960298e+00 -2.288525290e+00 -2.189193263e+00 3.44 -1.651926190e+00 -2.233701823e+00 -2.162032557e+00 3.46 -1.616049616e+00 -2.179549253e+00 -2.135271256e+00 3.48 -1.581307209e+00 -2.126079468e+00 -2.108927722e+00 3.50 -1.547674934e+00 -2.073302352e+00 -2.083017824e+00 3.52 -1.515128192e+00 -2.021225893e+00 -2.057555121e+00 3.54 -1.483641916e+00 -1.969856292e+00 -2.032551027e+00 3.56 -1.453190658e+00 -1.919198051e+00 -2.008014976e+00 3.58 -1.423748675e+00 -1.869254064e+00 -1.983954565e+00 3.60 -1.395290004e+00 -1.820025678e+00 -1.960375696e+00 3.62 -1.367788537e+00 -1.771512763e+00 -1.937282704e+00 3.64 -1.341218087e+00 -1.723713757e+00 -1.914678480e+00 3.66 -1.315552454e+00 -1.676625707e+00 -1.892564586e+00 3.68 -1.290765482e+00 -1.630244297e+00 -1.870941358e+00 3.70 -1.266831116e+00 -1.584563860e+00 -1.849808014e+00 3.72 -1.243723455e+00 -1.539577377e+00 -1.829162740e+00 3.74 -1.221416796e+00 -1.495276462e+00 -1.809002784e+00 3.76 -1.199885682e+00 -1.451651327e+00 -1.789324540e+00 3.78 -1.179104941e+00 -1.408690724e+00 -1.770123621e+00 3.80 -1.159049724e+00 -1.366381862e+00 -1.751394938e+00 3.82 -1.139695539e+00 -1.324710295e+00 -1.733132763e+00 3.84 -1.121018283e+00 -1.283659766e+00 -1.715330799e+00 3.86 -1.102994267e+00 -1.243212008e+00 -1.697982236e+00 3.88 -1.085600244e+00 -1.203346477e+00 -1.681079812e+00 3.90 -1.068813430e+00 -1.164040014e+00 -1.664615860e+00 3.92 -1.052611522e+00 -1.125266390e+00 -1.648582363e+00 3.94 -1.036972717e+00 -1.086995719e+00 -1.632970997e+00 3.96 -1.021875724e+00 -1.049193671e+00 -1.617773175e+00 3.98 -1.007299777e+00 -1.011820425e+00 -1.602980088e+00 4.00 -9.932246413e-01 -9.748292311e-01 -1.588582739e+00 4.02 -9.791075867e-01 -9.381644266e-01 -1.574571983e+00 4.04 -9.579626662e-01 -9.017586184e-01 -1.560938555e+00 4.06 -9.159331540e-01 -8.655285861e-01 -1.547673101e+00 4.08 -8.658081355e-01 -8.293691373e-01 -1.534766206e+00 4.10 -8.561176066e-01 -7.931435376e-01 -1.522208418e+00 4.12 -8.477456773e-01 -7.566679101e-01 -1.509990276e+00 4.14 -8.396303134e-01 -7.196843007e-01 -1.498102325e+00 4.16 -8.317590149e-01 -6.818106138e-01 -1.486535141e+00 4.18 -8.241198181e-01 -6.424378803e-01 -1.475279345e+00 4.20 -8.167012778e-01 -6.004876787e-01 -1.464325624e+00 4.22 -8.094924491e-01 -5.536988786e-01 -1.453664741e+00 4.24 -8.024828710e-01 -4.954482180e-01 -1.443287555e+00 4.26 -7.956625489e-01 -3.513936005e-01 -1.433185026e+00 4.28 -7.890219378e-01 -3.195211522e-01 -1.423348230e+00 4.30 -7.825519266e-01 -2.971862712e-01 -1.413768370e+00 4.32 -7.762438213e-01 -2.780485130e-01 -1.404436783e+00 4.34 -7.700893302e-01 -2.608813938e-01 -1.395344945e+00 4.36 -7.640805484e-01 -2.451600415e-01 -1.386484486e+00 4.38 -7.582099427e-01 -2.305941915e-01 -1.377847186e+00 4.40 -7.516935422e-01 -2.169991345e-01 -1.369424987e+00 4.42 -7.296783357e-01 -2.042462338e-01 -1.361209994e+00 4.44 -6.382976044e-01 -1.922400670e-01 -1.353194482e+00 4.46 -3.705999680e-01 -1.809064784e-01 -1.345370895e+00 4.48 -2.638595657e-01 -1.701857536e-01 -1.337731850e+00 4.50 -2.568528487e-01 -1.600284482e-01 -1.330270140e+00 4.52 -2.500151197e-01 -1.503926990e-01 -1.322978734e+00 4.54 -2.433428605e-01 -1.412424150e-01 -1.315850777e+00 4.56 -2.368326110e-01 -1.325460149e-01 -1.308879593e+00 4.58 -2.304809685e-01 -1.242755205e-01 -1.302058682e+00 4.60 -2.242845866e-01 -1.164058872e-01 -1.295381722e+00 4.62 -2.182401751e-01 -1.089144991e-01 -1.288842567e+00 4.64 -2.123444986e-01 -1.017807809e-01 -1.282435246e+00 4.66 -2.065943762e-01 -9.498589369e-02 -1.276153962e+00 4.68 -2.009866809e-01 -8.851249261e-02 -1.269993090e+00 4.70 -1.955183387e-01 -8.234453242e-02 -1.263947176e+00 4.72 -1.901863279e-01 -7.646710788e-02 -1.258010934e+00 4.74 -1.849876791e-01 -7.086632227e-02 -1.252179245e+00 4.76 -1.799194738e-01 -6.552917753e-02 -1.246447154e+00 4.78 -1.749788446e-01 -6.044348171e-02 -1.240809867e+00 4.80 -1.701629738e-01 -5.559777023e-02 -1.235262748e+00 4.82 -1.654690937e-01 -5.098123843e-02 -1.229801320e+00 4.84 -1.608944854e-01 -4.658368333e-02 -1.224421256e+00 4.86 -1.564364785e-01 -4.239545291e-02 -1.219118382e+00 4.88 -1.520924508e-01 -3.840740181e-02 -1.213888671e+00 4.90 -1.478598272e-01 -3.461085222e-02 -1.208728239e+00 4.92 -1.433547134e-01 -3.103040562e-02 -1.202932693e+00 4.94 -1.338239678e-01 -2.813588343e-02 -1.186028157e+00 4.96 -1.077080211e-01 -2.653729716e-02 -1.107012961e+00 4.98 -5.415796174e-02 -2.112996455e-02 -7.644777516e-01 5.00 -2.426798747e-23 -8.963029766e-23 -9.459047931e-23 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 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0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00