# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Jiang-C-Morgan-D-Szlufarska-I--Si-C # implementation = 2012--Jiang-C--Si-C--LAMMPS--ipr1 # composition = Si # 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 nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan 4.195950073e+02 nan nan nan nan 0.74 nan nan nan nan nan 3.872407935e+02 nan nan nan nan 0.76 nan nan nan nan nan 3.551272118e+02 nan nan nan nan 0.78 nan nan nan nan nan 3.257453054e+02 nan nan nan nan 0.80 nan nan nan nan nan 3.008229800e+02 nan nan 3.429970292e+02 4.692088535e+02 0.82 nan nan nan nan nan 2.774479006e+02 4.396133915e+02 nan nan 4.362427045e+02 0.84 nan nan nan nan nan 2.551552393e+02 nan nan 2.918364561e+02 4.040039928e+02 0.86 nan nan nan nan nan 2.374344703e+02 3.815132762e+02 nan 2.714847694e+02 nan 0.88 nan 3.479015068e+02 4.571950580e+02 nan nan 2.211826323e+02 3.541952465e+02 4.702369392e+02 2.525072520e+02 nan 0.90 nan 3.246202018e+02 nan nan nan 2.067969848e+02 nan 4.374352997e+02 2.361234298e+02 nan 0.92 nan 3.010977502e+02 4.017797907e+02 4.330650161e+02 4.300741731e+02 1.922127537e+02 nan 4.081648448e+02 2.222511547e+02 nan 0.94 4.049009627e+02 nan 3.734447386e+02 4.057995700e+02 4.041597594e+02 1.772446243e+02 2.802768244e+02 3.815898997e+02 2.090579972e+02 2.751999149e+02 0.96 3.782708132e+02 2.619347766e+02 3.472489341e+02 3.802970046e+02 3.802850293e+02 1.631417160e+02 2.604127686e+02 nan 1.960255681e+02 2.568062948e+02 0.98 nan 2.452006741e+02 3.256405269e+02 nan 3.581528037e+02 1.511595762e+02 2.428624655e+02 3.363602749e+02 1.838813771e+02 2.430840382e+02 1.00 3.359426366e+02 2.282155855e+02 3.044769469e+02 3.355568606e+02 3.369728493e+02 1.395145316e+02 2.281598974e+02 3.146533688e+02 1.723868298e+02 2.299954105e+02 1.02 3.147571484e+02 2.118849772e+02 nan 3.150574910e+02 3.168971990e+02 1.299737257e+02 2.163635880e+02 2.926463456e+02 1.612068290e+02 2.179978821e+02 1.04 2.936288957e+02 1.973446733e+02 nan 2.944568291e+02 2.963057908e+02 1.236946094e+02 2.057022074e+02 2.713818889e+02 1.497081790e+02 2.076138480e+02 1.06 2.721593377e+02 1.850136148e+02 2.517985644e+02 2.738013843e+02 2.755523539e+02 1.175947329e+02 1.953545856e+02 2.528236480e+02 1.384373779e+02 1.972366209e+02 1.08 2.523360415e+02 1.761062002e+02 2.343640103e+02 nan nan 1.113563413e+02 1.853463686e+02 2.380639263e+02 1.287786507e+02 1.866282785e+02 1.10 2.386886244e+02 1.685000423e+02 2.169737278e+02 2.398984569e+02 2.400724995e+02 1.049683833e+02 1.752933627e+02 2.265600001e+02 1.208337752e+02 1.756813967e+02 1.12 2.279968486e+02 1.608344953e+02 2.019083793e+02 2.273114605e+02 2.264693502e+02 9.857552223e+01 1.655917723e+02 2.154989584e+02 1.135112733e+02 1.643197295e+02 1.14 2.172200183e+02 1.530387993e+02 1.906801464e+02 2.155463300e+02 2.142702582e+02 9.279323801e+01 1.569479795e+02 2.045435843e+02 1.065242756e+02 1.526150905e+02 1.16 2.064970946e+02 1.450465703e+02 1.826484477e+02 2.045538160e+02 2.028357413e+02 8.850829669e+01 1.491365694e+02 1.942952019e+02 9.947293557e+01 1.411454514e+02 1.18 1.963445524e+02 1.368099544e+02 1.754922717e+02 1.942015721e+02 1.920713088e+02 8.461719232e+01 1.412062009e+02 1.845219491e+02 9.288684861e+01 1.316120661e+02 1.20 1.867864217e+02 1.283619541e+02 1.683340156e+02 1.845100521e+02 1.822336824e+02 8.068066438e+01 1.330159428e+02 1.746750514e+02 8.740216054e+01 1.242417496e+02 1.22 1.770188353e+02 1.199871788e+02 1.612215801e+02 1.753221248e+02 1.736254143e+02 7.675121830e+01 1.245667579e+02 1.651520842e+02 8.267170786e+01 1.167437252e+02 1.24 1.670097544e+02 1.123940742e+02 1.543773013e+02 1.663556161e+02 1.657014778e+02 7.307963452e+01 1.160408503e+02 1.563670493e+02 7.849790426e+01 1.089946458e+02 1.26 1.570170727e+02 1.060481366e+02 1.481744532e+02 1.574168465e+02 1.578166203e+02 7.010390675e+01 1.079538577e+02 1.478220396e+02 7.473094367e+01 1.012630021e+02 1.28 1.479318438e+02 1.010637960e+02 1.422192262e+02 1.491631355e+02 1.503944273e+02 6.742551692e+01 1.002974980e+02 1.400586389e+02 7.106668393e+01 9.444364814e+01 1.30 1.412415522e+02 9.676490824e+01 1.361917566e+02 1.427028936e+02 1.441642349e+02 6.473724888e+01 9.284099084e+01 1.338464685e+02 6.786041913e+01 9.005087536e+01 1.32 1.357142106e+02 9.271710204e+01 1.300493350e+02 1.371041209e+02 1.384940313e+02 6.202272584e+01 8.638057193e+01 1.280853084e+02 6.539740667e+01 8.687000150e+01 1.34 1.301187110e+02 8.859438051e+01 1.237468674e+02 1.314345373e+02 1.327503636e+02 5.926430065e+01 8.109568035e+01 1.222243699e+02 6.310606711e+01 8.367658678e+01 1.36 1.244195600e+02 8.436931180e+01 1.172394471e+02 1.256575810e+02 1.268956020e+02 5.643665056e+01 7.642633865e+01 1.162951435e+02 6.079712840e+01 8.044443399e+01 1.38 1.186109739e+02 8.002506090e+01 1.104934493e+02 1.197581708e+02 1.209053678e+02 5.350751558e+01 7.283746222e+01 1.104622847e+02 5.844810390e+01 7.716228839e+01 1.40 1.127470525e+02 7.557259887e+01 1.035165177e+02 1.137661582e+02 1.147852640e+02 5.043284388e+01 7.026275275e+01 1.051261390e+02 5.603322884e+01 7.384258691e+01 1.42 1.070364673e+02 7.109820430e+01 9.643058145e+01 1.078297430e+02 1.086230188e+02 4.713140182e+01 6.771475029e+01 1.004511899e+02 5.352429434e+01 7.058895761e+01 1.44 1.019775311e+02 6.683268713e+01 8.958722415e+01 1.023230635e+02 1.026685959e+02 4.341874486e+01 6.508583575e+01 9.601864808e+01 5.089614435e+01 6.771588133e+01 1.46 9.786818263e+01 6.290001198e+01 8.330040165e+01 9.749443976e+01 9.712069689e+01 3.894378321e+01 6.240294199e+01 9.182982797e+01 4.816243522e+01 6.540475291e+01 1.48 9.389194544e+01 5.879852393e+01 7.734027158e+01 9.281749905e+01 9.174305265e+01 3.368060185e+01 5.985030002e+01 8.759304210e+01 4.547495339e+01 6.319352036e+01 1.50 8.981862668e+01 5.404553222e+01 7.234352117e+01 8.832568886e+01 8.683275103e+01 2.938154627e+01 5.776757329e+01 8.321306090e+01 4.307185569e+01 6.095627922e+01 1.52 8.562119286e+01 4.814717329e+01 6.940425812e+01 8.420741409e+01 8.279363532e+01 2.755105388e+01 5.605177686e+01 7.866863717e+01 4.079907793e+01 5.867016538e+01 1.54 8.127242278e+01 4.262827448e+01 6.720539095e+01 8.013234133e+01 7.899225987e+01 2.631243788e+01 5.436647027e+01 7.395642518e+01 3.851701609e+01 5.630732682e+01 1.56 7.674924098e+01 3.884696213e+01 6.499334713e+01 7.590465910e+01 7.506007721e+01 2.505858770e+01 5.268388883e+01 6.910999515e+01 3.616171865e+01 5.382685784e+01 1.58 7.204109268e+01 3.530874900e+01 6.275003567e+01 7.151082116e+01 7.098054964e+01 2.373139128e+01 5.098862943e+01 6.418413459e+01 3.384134395e+01 5.116128261e+01 1.60 6.714533736e+01 3.251336438e+01 6.045086879e+01 6.693942258e+01 6.673350781e+01 2.217963264e+01 4.925670155e+01 5.917037196e+01 3.181061770e+01 4.820693514e+01 1.62 6.189873809e+01 3.054578010e+01 5.806552824e+01 6.205493084e+01 6.221112360e+01 2.024759012e+01 4.746305898e+01 5.399553228e+01 3.008454446e+01 4.488439275e+01 1.64 5.576553885e+01 2.874855050e+01 5.554760366e+01 5.651253999e+01 5.725954113e+01 1.776176537e+01 4.557986104e+01 4.943732124e+01 2.822890982e+01 4.143197182e+01 1.66 5.029195094e+01 2.739794329e+01 5.280828949e+01 5.158809058e+01 5.288423020e+01 1.452528246e+01 4.357521973e+01 4.728536180e+01 2.606435605e+01 3.872480394e+01 1.68 4.812694601e+01 2.650371297e+01 4.966223228e+01 4.931292698e+01 5.049890791e+01 1.043528305e+01 4.141763903e+01 4.604115731e+01 2.350492524e+01 3.722265401e+01 1.70 4.690923680e+01 2.570652978e+01 4.576765977e+01 4.778433229e+01 4.865942772e+01 5.911061428e+00 3.909863598e+01 4.481861686e+01 2.050832253e+01 3.602345570e+01 1.72 4.570913115e+01 2.492648397e+01 4.080043569e+01 4.624667431e+01 4.678421742e+01 2.339389552e+00 3.669445848e+01 4.359722139e+01 1.719364030e+01 3.482397193e+01 1.74 4.452000154e+01 2.416252149e+01 3.535358544e+01 4.475010073e+01 4.498019988e+01 -4.361302762e-02 3.445439995e+01 4.235584171e+01 1.397448281e+01 3.361916758e+01 1.76 4.333922794e+01 2.341378621e+01 3.151459253e+01 4.338136683e+01 4.342350571e+01 -1.848176129e+00 3.270131615e+01 4.107320550e+01 1.153045106e+01 3.240504248e+01 1.78 4.216402731e+01 2.267944192e+01 3.010123444e+01 4.216444440e+01 4.216486149e+01 -1.955755221e+00 3.129828595e+01 3.972907697e+01 1.001631389e+01 3.117721956e+01 1.80 4.099137746e+01 2.195866833e+01 2.930141229e+01 4.099137759e+01 4.099137772e+01 -2.132210330e+00 2.979662784e+01 3.830497500e+01 8.556091864e+00 2.993081185e+01 1.82 3.980497262e+01 2.125065694e+01 2.852187709e+01 3.980497278e+01 3.980497293e+01 -2.307106928e+00 2.806523158e+01 3.677706225e+01 6.784360786e+00 2.863833996e+01 1.84 3.855935684e+01 2.055460665e+01 2.775768155e+01 3.855935702e+01 3.855935720e+01 -2.475234126e+00 2.601382956e+01 3.510723677e+01 4.754720722e+00 2.722455798e+01 1.86 3.720553050e+01 1.986971912e+01 2.700805228e+01 3.720553073e+01 3.720553097e+01 -2.636729023e+00 2.353011057e+01 3.327055941e+01 2.646322634e+00 2.560870700e+01 1.88 3.569127698e+01 1.919519382e+01 2.627223385e+01 3.569127734e+01 3.569127769e+01 -2.791715721e+00 2.050349792e+01 3.128140889e+01 7.558502845e-01 2.369676385e+01 1.90 3.395613828e+01 1.853022260e+01 2.554948581e+01 3.395613890e+01 3.395613952e+01 -2.940305522e+00 1.692219303e+01 2.922459125e+01 -6.157602866e-01 2.136140269e+01 1.92 3.192903432e+01 1.787398389e+01 2.483907958e+01 3.192903563e+01 3.192903694e+01 -3.082597074e+00 1.307278866e+01 2.722756629e+01 -1.345069487e+00 1.843094708e+01 1.94 2.953763220e+01 1.722563624e+01 2.414029530e+01 2.953763556e+01 2.953763891e+01 -3.218676440e+00 9.679084252e+00 2.525165223e+01 -1.646523257e+00 1.473168405e+01 1.96 2.674819050e+01 1.658431141e+01 2.345241850e+01 2.674820064e+01 2.674821078e+01 -3.348617110e+00 7.535860867e+00 2.308976322e+01 -1.896752776e+00 1.028205297e+01 1.98 2.365840408e+01 1.594910677e+01 2.277473662e+01 2.365843702e+01 2.365846995e+01 -3.472479937e+00 6.678054263e+00 2.078341935e+01 -2.135029306e+00 5.677872467e+00 2.00 2.062009066e+01 1.531907722e+01 2.210653522e+01 2.062018793e+01 2.062028520e+01 -3.590313012e+00 6.252414168e+00 1.856785006e+01 -2.353446567e+00 2.101500677e+00 2.02 1.822257301e+01 1.469322669e+01 2.144709409e+01 1.822278057e+01 1.822298812e+01 -3.702151454e+00 5.853530536e+00 1.679993699e+01 -2.550802327e+00 2.596789698e-01 2.04 1.688449962e+01 1.407049969e+01 2.079568286e+01 1.688477446e+01 1.688504930e+01 -3.808017129e+00 5.470542705e+00 1.573529491e+01 -2.725783417e+00 -2.745009033e-01 2.06 1.625022783e+01 1.344977343e+01 2.015155643e+01 1.625049658e+01 1.625076534e+01 -3.907918281e+00 5.088243570e+00 1.514131767e+01 -2.876967618e+00 -5.252413393e-01 2.08 1.571516255e+01 1.282965030e+01 1.951394996e+01 1.571541572e+01 1.571566889e+01 -4.001849074e+00 4.672235723e+00 1.461674118e+01 -3.004080945e+00 -8.131494169e-01 2.10 1.519042783e+01 1.219316011e+01 1.888207352e+01 1.519066563e+01 1.519090343e+01 -4.089789031e+00 4.189636687e+00 1.410217258e+01 -3.117460202e+00 -1.091816992e+00 2.12 1.467555992e+01 1.149941464e+01 1.825510639e+01 1.467578260e+01 1.467600529e+01 -4.171702375e+00 3.612518169e+00 1.359720115e+01 -3.231900991e+00 -1.360509393e+00 2.14 1.417024794e+01 1.070982887e+01 1.763219116e+01 1.417045579e+01 1.417066364e+01 -4.247537240e+00 2.920580968e+00 1.310152053e+01 -3.359889254e+00 -1.619011076e+00 2.16 1.367419234e+01 9.790080238e+00 1.701242788e+01 1.367438565e+01 1.367457897e+01 -4.317224763e+00 2.104945826e+00 1.261483366e+01 -3.510046903e+00 -1.867077664e+00 2.18 1.318710369e+01 8.709709293e+00 1.639486850e+01 1.318728280e+01 1.318746192e+01 -4.380678026e+00 1.173524997e+00 1.213685128e+01 -3.685104788e+00 -2.104435339e+00 2.20 1.270870149e+01 7.444283580e+00 1.577851261e+01 1.270886676e+01 1.270903204e+01 -4.437790842e+00 1.577134783e-01 1.166729031e+01 -3.878813732e+00 -2.330780255e+00 2.22 1.223871284e+01 5.983530678e+00 1.515543768e+01 1.223886467e+01 1.223901650e+01 -4.488436360e+00 -8.817347098e-01 1.120587209e+01 -4.070289894e+00 -2.545777988e+00 2.24 1.177687103e+01 4.349361060e+00 1.449187553e+01 1.177700983e+01 1.177714864e+01 -4.532465475e+00 -1.854646293e+00 1.075232041e+01 -4.213770611e+00 -2.749063040e+00 2.26 1.132291402e+01 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