# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Munetoh-S-Motooka-T-Moriguchi-K-Shintani-A--Si-O # implementation = 2007--Munetoh-S--Si-O--LAMMPS--ipr1 # composition = O # 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 1.230251371e+03 nan nan 1.434025542e+03 nan 0.52 nan 1.747548763e+03 nan nan nan 1.063791465e+03 1.783150052e+03 nan 1.239384976e+03 1.757796985e+03 0.54 nan 1.521144058e+03 nan nan nan 9.223112324e+02 1.554545459e+03 nan 1.074330753e+03 1.533766569e+03 0.56 nan 1.329947161e+03 1.826686709e+03 nan nan 8.027903593e+02 1.360299672e+03 nan 9.337251647e+02 1.341884911e+03 0.58 1.787199352e+03 1.165485008e+03 1.610275263e+03 1.785489397e+03 1.785236857e+03 7.015798889e+02 1.193478231e+03 1.663698644e+03 8.146008775e+02 1.175795850e+03 0.60 1.578957844e+03 1.024137988e+03 1.423864949e+03 1.578083789e+03 1.576924841e+03 6.150356738e+02 1.048245786e+03 1.468925135e+03 7.132564447e+02 1.031405988e+03 0.62 1.398632590e+03 9.016930044e+02 1.260074479e+03 1.398468932e+03 1.397173131e+03 5.392619309e+02 9.208249967e+02 1.300817866e+03 6.264202303e+02 9.070068879e+02 0.64 1.243079275e+03 7.947464980e+02 1.116141706e+03 1.243164627e+03 1.242600114e+03 4.721689227e+02 8.106602324e+02 1.154971242e+03 5.517828180e+02 8.001208391e+02 0.66 1.106869839e+03 7.006634041e+02 9.914949354e+02 1.106975402e+03 1.107486595e+03 4.142024981e+02 7.162295940e+02 1.025738249e+03 4.859819008e+02 7.085889933e+02 0.68 9.854110299e+02 6.181174428e+02 8.827920497e+02 9.858811173e+02 9.869954606e+02 3.650979323e+02 6.352011953e+02 9.112663968e+02 4.278206102e+02 6.302842604e+02 0.70 8.774650872e+02 5.465269993e+02 7.852795296e+02 8.784776984e+02 8.797060712e+02 3.227362564e+02 5.647737375e+02 8.103994945e+02 3.768084152e+02 5.619637456e+02 0.72 7.825037339e+02 4.853430649e+02 6.985189273e+02 7.836397378e+02 7.846243755e+02 2.861613851e+02 5.028835896e+02 7.226333995e+02 3.320268713e+02 5.006430157e+02 0.74 6.999395122e+02 4.328788659e+02 6.218244238e+02 7.005107869e+02 7.007645671e+02 2.537834414e+02 4.483852346e+02 6.467273884e+02 2.928313597e+02 4.452603314e+02 0.76 6.290679386e+02 3.863175456e+02 5.548295687e+02 6.283802540e+02 6.276058509e+02 2.250543044e+02 4.001863441e+02 5.803149080e+02 2.585747346e+02 3.959804699e+02 0.78 5.658745176e+02 3.437944519e+02 4.971939595e+02 5.644648629e+02 5.631556255e+02 1.998286092e+02 3.574758975e+02 5.206258950e+02 2.283784777e+02 3.518360032e+02 0.80 5.083063037e+02 3.053250987e+02 4.472840728e+02 5.070141027e+02 5.057603725e+02 1.780383268e+02 3.190824181e+02 4.669116495e+02 2.015772565e+02 3.121802154e+02 0.82 4.565491089e+02 2.710961225e+02 4.030140250e+02 4.557128065e+02 4.548765215e+02 1.589329481e+02 2.840855844e+02 4.189624198e+02 1.781993021e+02 2.773782936e+02 0.84 4.103372214e+02 2.411271346e+02 3.635048544e+02 4.101406849e+02 4.099441383e+02 1.421334700e+02 2.520401871e+02 3.762784186e+02 1.580398335e+02 2.466995167e+02 0.86 3.693078015e+02 2.152329946e+02 3.282212064e+02 3.697116446e+02 3.701155776e+02 1.274597373e+02 2.232023113e+02 3.382452464e+02 1.405783007e+02 2.196888118e+02 0.88 3.327028921e+02 1.926200557e+02 2.963022934e+02 3.335663895e+02 3.344301093e+02 1.145976056e+02 1.977671936e+02 3.042724313e+02 1.253798362e+02 1.960966063e+02 0.90 3.003059353e+02 1.725243419e+02 2.670442950e+02 3.013612005e+02 3.024166966e+02 1.029707459e+02 1.754580797e+02 2.741345769e+02 1.120428515e+02 1.758839571e+02 0.92 2.711726144e+02 1.543765805e+02 2.395126206e+02 2.720909312e+02 2.730094259e+02 9.201790689e+01 1.561858350e+02 2.471421444e+02 1.001741727e+02 1.579390714e+02 0.94 2.449244055e+02 1.375918727e+02 2.140214907e+02 2.455181821e+02 2.461120717e+02 8.184166592e+01 1.395296971e+02 2.230336376e+02 8.943678699e+01 1.418104908e+02 0.96 2.214485700e+02 1.221313874e+02 1.908533296e+02 2.216153440e+02 2.217821576e+02 7.255738074e+01 1.251432557e+02 2.014810122e+02 7.973757552e+01 1.274210618e+02 0.98 2.005843075e+02 1.079422888e+02 1.701505112e+02 2.002968035e+02 2.000092624e+02 6.422810245e+01 1.123912660e+02 1.819733745e+02 7.094347539e+01 1.146727380e+02 1.00 1.816109547e+02 9.510568633e+01 1.520029820e+02 1.809749687e+02 1.803388903e+02 5.689002184e+01 1.009937409e+02 1.636866871e+02 6.305192424e+01 1.032576449e+02 1.02 1.636921108e+02 8.353800994e+01 1.363372510e+02 1.629584237e+02 1.622246460e+02 5.058294821e+01 9.086489524e+01 1.466039759e+02 5.605178642e+01 9.275559706e+01 1.04 1.468577547e+02 7.321584670e+01 1.230318440e+02 1.462839167e+02 1.457100383e+02 4.533523692e+01 8.189441791e+01 1.308375896e+02 4.990743235e+01 8.306724095e+01 1.06 1.312913157e+02 6.432444548e+01 1.113961187e+02 1.310095182e+02 1.307277327e+02 4.071365183e+01 7.374080637e+01 1.164906969e+02 4.440261937e+01 7.422168200e+01 1.08 1.170886045e+02 5.695054492e+01 1.003832495e+02 1.170486000e+02 1.170086265e+02 3.614588100e+01 6.623800573e+01 1.036248630e+02 3.934073145e+01 6.623167636e+01 1.10 1.042996925e+02 5.059102881e+01 9.005667038e+01 1.044491974e+02 1.045987197e+02 3.172435658e+01 5.937552416e+01 9.233890167e+01 3.474136067e+01 5.909883510e+01 1.12 9.301098900e+01 4.513935861e+01 8.047961023e+01 9.328784874e+01 9.356469541e+01 2.749329638e+01 5.314010323e+01 8.274761204e+01 3.062273149e+01 5.281720329e+01 1.14 8.340157140e+01 4.032702333e+01 7.169003811e+01 8.370621309e+01 8.401081778e+01 2.341264214e+01 4.751423098e+01 7.466948752e+01 2.691914749e+01 4.736644749e+01 1.16 7.557676270e+01 3.608066025e+01 6.371697907e+01 7.578149175e+01 7.598618771e+01 1.933569871e+01 4.247584709e+01 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3.577994038e+01 8.508456879e+00 2.106108997e+01 1.30 3.682328719e+01 1.614175714e+01 3.004948639e+01 3.682372746e+01 3.682416773e+01 3.001274518e+00 1.710225026e+01 3.183393628e+01 6.791639849e+00 1.806179589e+01 1.32 3.277898821e+01 1.430788188e+01 2.707262383e+01 3.277935462e+01 3.277972103e+01 2.297839114e+00 1.475254223e+01 2.828094740e+01 5.406483920e+00 1.527299041e+01 1.34 2.911463162e+01 1.265892586e+01 2.436700609e+01 2.911483014e+01 2.911502865e+01 1.672033360e+00 1.276426728e+01 2.512053507e+01 4.465949412e+00 1.267483233e+01 1.36 2.583903880e+01 1.117716441e+01 2.190882579e+01 2.583901450e+01 2.583899021e+01 1.116661944e+00 1.115963002e+01 2.230781996e+01 3.777913392e+00 1.025774217e+01 1.38 2.296137179e+01 9.846532050e+00 1.967632905e+01 2.296113529e+01 2.296089880e+01 6.251506632e-01 9.835014022e+00 1.982544322e+01 3.163423394e+00 8.088160597e+00 1.40 2.048332134e+01 8.632076774e+00 1.764963970e+01 2.048295294e+01 2.048258454e+01 1.914946327e-01 8.575156835e+00 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-8.638600076e-01 -7.017971646e-01 -7.018617118e-01 -1.001488112e+00 -8.973661917e-01 -7.765197882e-01 -6.975825324e-01 -9.235760632e-01 1.90 -7.406036171e-01 -3.363880530e-01 -7.794910178e-01 -7.406514428e-01 -7.406992685e-01 -7.506773123e-01 -6.908448676e-01 -6.638805647e-01 -5.323822268e-01 -7.721726777e-01 1.92 -6.777638204e-01 -2.156143382e-01 -6.337699157e-01 -6.777955266e-01 -6.778272328e-01 -5.108651558e-01 -4.823023417e-01 -4.815115169e-01 -3.686426255e-01 -5.849927880e-01 1.94 -5.250506337e-01 -1.204250017e-01 -4.419561034e-01 -5.250676744e-01 -5.250847151e-01 -3.001005030e-01 -2.899630017e-01 -2.840880478e-01 -2.199669979e-01 -3.805718822e-01 1.96 -3.089763656e-01 -5.269386944e-02 -2.344693191e-01 -3.089821319e-01 -3.089878983e-01 -1.363803917e-01 -1.342567196e-01 -1.329838602e-01 -1.012224129e-01 -1.888579068e-01 1.98 -9.459415567e-02 -1.286115515e-02 -6.549397894e-02 -9.459469769e-02 -9.459523970e-02 -3.405428465e-02 -3.392489948e-02 -3.384563313e-02 -2.547625244e-02 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