# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Miraz-A-S-M-Dhariwal-N-Meng-W-J-et-al--Cu-N-Ti # implementation = 2020--Miraz-A-S-M--Cu-N-Ti--LAMMPS--ipr1 # composition = CuN3 # 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 3.038345837e+02 nan nan 0.92 2.811528750e+02 nan nan 0.94 2.606226087e+02 nan nan 0.96 2.419849842e+02 nan nan 0.98 2.250168681e+02 2.779335124e+02 nan 1.00 2.095257952e+02 2.579292421e+02 nan 1.02 1.953456116e+02 2.396944561e+02 2.797432974e+02 1.04 1.823325540e+02 2.230394699e+02 2.609497329e+02 1.06 1.703619408e+02 2.077975513e+02 2.437977032e+02 1.08 1.593253905e+02 1.938219682e+02 2.281045687e+02 1.10 1.491284605e+02 1.809834239e+02 2.137107981e+02 1.12 1.396886429e+02 1.691678347e+02 2.004769200e+02 1.14 1.309336623e+02 1.582744009e+02 1.882808766e+02 1.16 1.228000279e+02 1.482139309e+02 1.770157246e+02 1.18 1.152318025e+02 1.389073857e+02 1.665876428e+02 1.20 1.081795551e+02 1.304059583e+02 1.569142064e+02 1.22 1.015994679e+02 1.253995880e+02 1.479228898e+02 1.24 9.577010946e+01 1.218770671e+02 1.395497720e+02 1.26 9.593270012e+01 1.177087832e+02 1.317384148e+02 1.28 9.815351652e+01 1.123198356e+02 1.244388912e+02 1.30 9.858944453e+01 1.058556143e+02 1.176069450e+02 1.32 9.616990524e+01 9.872115970e+01 1.112032626e+02 1.34 9.114855788e+01 9.134687467e+01 1.051928423e+02 1.36 8.428312826e+01 8.408608235e+01 9.954444799e+01 1.38 7.640568976e+01 7.718028992e+01 9.422334135e+01 1.40 6.822540050e+01 7.303659820e+01 9.259843757e+01 1.42 6.026224896e+01 7.174269160e+01 9.468373726e+01 1.44 5.284866087e+01 7.061461337e+01 9.642408293e+01 1.46 4.616124362e+01 6.853196163e+01 9.616558435e+01 1.48 4.026140407e+01 6.523900360e+01 9.358169569e+01 1.50 3.513390047e+01 6.090428330e+01 8.899427018e+01 1.52 3.071859536e+01 5.586186420e+01 8.297341212e+01 1.54 2.693418632e+01 5.046923095e+01 7.611729464e+01 1.56 2.369449142e+01 4.503775129e+01 6.894449660e+01 1.58 2.091862568e+01 3.980507454e+01 6.185334822e+01 1.60 1.853657079e+01 3.493080726e+01 5.511872107e+01 1.62 1.649090864e+01 3.050591998e+01 4.890739406e+01 1.64 1.473363756e+01 2.656734285e+01 4.330064419e+01 1.66 1.322338572e+01 2.311312781e+01 3.831759617e+01 1.68 1.192447234e+01 2.011594375e+01 3.393599205e+01 1.70 1.080615813e+01 1.753401687e+01 3.010905959e+01 1.72 9.841991046e+00 1.531935279e+01 2.677824294e+01 1.74 9.009235692e+00 1.342349331e+01 2.388218237e+01 1.76 8.288375803e+00 1.180123122e+01 2.136258552e+01 1.78 7.662680828e+00 1.041274096e+01 1.916768223e+01 1.80 7.117828508e+00 9.224502557e+00 1.725383437e+01 1.82 6.641576498e+00 8.208518220e+00 1.558455452e+01 1.84 6.223476806e+00 7.340606426e+00 1.412811429e+01 1.86 5.854627678e+00 6.599759815e+00 1.285672556e+01 1.88 5.527458183e+00 5.967749932e+00 1.174607198e+01 1.90 5.235541320e+00 5.428779876e+00 1.077489504e+01 1.92 4.973432036e+00 4.969178415e+00 9.924627313e+00 1.94 4.736526939e+00 4.577130947e+00 9.179067932e+00 1.96 4.520942935e+00 4.242443353e+00 8.524096153e+00 1.98 4.323412331e+00 3.956334268e+00 7.947417763e+00 2.00 4.141192269e+00 3.711252847e+00 7.438341279e+00 2.02 3.971986628e+00 3.500718995e+00 6.987580554e+00 2.04 3.813878756e+00 3.319183077e+00 6.587080314e+00 2.06 3.665273605e+00 3.161903174e+00 6.229862569e+00 2.08 3.524848024e+00 3.024837598e+00 5.909891241e+00 2.10 3.391508132e+00 2.904550770e+00 5.621952835e+00 2.12 3.264352798e+00 2.798131074e+00 5.361551593e+00 2.14 3.142642437e+00 2.703119047e+00 5.124817209e+00 2.16 3.025772380e+00 2.617444721e+00 4.908423723e+00 2.18 2.913250189e+00 2.539373056e+00 4.709518402e+00 2.20 2.804676388e+00 2.467456380e+00 4.525659258e+00 2.22 2.699728132e+00 2.400493040e+00 4.354760328e+00 2.24 2.598145392e+00 2.337491499e+00 4.195043776e+00 2.26 2.499719310e+00 2.277639157e+00 4.044997944e+00 2.28 2.404282422e+00 2.220275363e+00 3.903340735e+00 2.30 2.311700453e+00 2.164868057e+00 3.768987640e+00 2.32 2.221865492e+00 2.110993597e+00 3.641023845e+00 2.34 2.134690310e+00 2.058319371e+00 3.518679971e+00 2.36 2.050103675e+00 2.006588828e+00 3.401310954e+00 2.38 1.968046493e+00 1.955608626e+00 3.288377715e+00 2.40 1.888468670e+00 1.905237624e+00 3.179431270e+00 2.42 1.811326564e+00 1.855377466e+00 3.074098972e+00 2.44 1.736580941e+00 1.805964564e+00 2.972072621e+00 2.46 1.664195357e+00 1.756963279e+00 2.873098221e+00 2.48 1.594134891e+00 1.708360150e+00 2.776967151e+00 2.50 1.526365168e+00 1.660159027e+00 2.683508595e+00 2.52 1.460851631e+00 1.612376976e+00 2.592583053e+00 2.54 1.397559006e+00 1.565040869e+00 2.504076804e+00 2.56 1.336450935e+00 1.518184537e+00 2.417897180e+00 2.58 1.277489737e+00 1.471846426e+00 2.333968569e+00 2.60 1.220636280e+00 1.426067682e+00 2.252229024e+00 2.62 1.165849931e+00 1.380890584e+00 2.172627410e+00 2.64 1.113088574e+00 1.336357299e+00 2.095121019e+00 2.66 1.062308684e+00 1.292508896e+00 2.019673573e+00 2.68 1.013465426e+00 1.249384570e+00 1.946253574e+00 2.70 9.665127958e-01 1.207021071e+00 1.874832947e+00 2.72 9.214037643e-01 1.165452270e+00 1.805385934e+00 2.74 8.780594470e-01 1.124708868e+00 1.737888199e+00 2.76 8.361919459e-01 1.084818208e+00 1.672316115e+00 2.78 7.960796664e-01 1.045804174e+00 1.608646207e+00 2.80 7.578885849e-01 1.007687163e+00 1.546854720e+00 2.82 7.212950628e-01 9.704841195e-01 1.486917302e+00 2.84 6.862495228e-01 9.342086050e-01 1.428808768e+00 2.86 6.527025018e-01 8.988709156e-01 1.372502950e+00 2.88 6.206047885e-01 8.644782202e-01 1.317972597e+00 2.90 5.899075514e-01 8.310347195e-01 1.265189336e+00 2.92 5.605624561e-01 7.985418216e-01 1.214123666e+00 2.94 5.325217713e-01 7.669983244e-01 1.164744986e+00 2.96 5.057384644e-01 7.364006043e-01 1.117021649e+00 2.98 4.801662861e-01 7.067428067e-01 1.070921036e+00 3.00 4.557598454e-01 6.780170355e-01 1.026409641e+00 3.02 4.324746739e-01 6.502135384e-01 9.834531685e-01 3.04 4.102672818e-01 6.233208894e-01 9.420166363e-01 3.06 3.890952045e-01 5.973261624e-01 9.020644826e-01 3.08 3.689170409e-01 5.722151001e-01 8.635606736e-01 3.10 3.496924842e-01 5.479722732e-01 8.264688112e-01 3.12 3.313823460e-01 5.245812318e-01 7.907522375e-01 3.14 3.139485735e-01 5.020246478e-01 7.563741372e-01 3.16 2.973542605e-01 4.802844489e-01 7.232976348e-01 3.18 2.815636537e-01 4.593419426e-01 6.914858867e-01 3.20 2.665421535e-01 4.391779326e-01 6.609021691e-01 3.22 2.522563109e-01 4.197728254e-01 6.315099583e-01 3.24 2.386738201e-01 4.011067293e-01 6.032730065e-01 3.26 2.257635076e-01 3.831595449e-01 5.761554110e-01 3.28 2.134953189e-01 3.659110475e-01 5.501216771e-01 3.30 2.018403016e-01 3.493409625e-01 5.251367755e-01 3.32 1.907705868e-01 3.334290337e-01 5.011661937e-01 3.34 1.802593682e-01 3.181550844e-01 4.781759816e-01 3.36 1.702808798e-01 3.034990728e-01 4.561327918e-01 3.38 1.608103719e-01 2.894411408e-01 4.350039154e-01 3.40 1.518240864e-01 2.759616583e-01 4.147573113e-01 3.42 1.432992301e-01 2.630412607e-01 3.953616330e-01 3.44 1.352139491e-01 2.506608835e-01 3.767862490e-01 3.46 1.275473006e-01 2.388017910e-01 3.590012611e-01 3.48 1.202792261e-01 2.274456015e-01 3.419855022e-01 3.50 1.133905234e-01 2.165743087e-01 3.259031240e-01 3.52 1.068628186e-01 2.061702995e-01 3.111849904e-01 3.54 1.006785388e-01 1.962163685e-01 2.969529006e-01 3.56 9.482088412e-02 1.866957303e-01 2.826321582e-01 3.58 8.927380046e-02 1.775920279e-01 2.689404287e-01 3.60 8.402195262e-02 1.688893401e-01 2.558531126e-01 3.62 7.905069761e-02 1.605721854e-01 2.433463672e-01 3.64 7.434605846e-02 1.526255254e-01 2.313971007e-01 3.66 6.989469868e-02 1.450347646e-01 2.199829636e-01 3.68 6.568389715e-02 1.377857509e-01 2.090823388e-01 3.70 6.170152362e-02 1.308647722e-01 1.986743309e-01 3.72 5.793601484e-02 1.242585542e-01 1.887387537e-01 3.74 5.437635140e-02 1.179542551e-01 1.792561178e-01 3.76 5.101203505e-02 1.119394604e-01 1.702076163e-01 3.78 4.783306693e-02 1.062021768e-01 1.615751104e-01 3.80 4.482992623e-02 1.007308253e-01 1.533411144e-01 3.82 4.199354971e-02 9.551423312e-02 1.454887805e-01 3.84 3.931531186e-02 9.054162601e-02 1.380018822e-01 3.86 3.678700565e-02 8.580261950e-02 1.308647989e-01 3.88 3.440082407e-02 8.128721000e-02 1.240624992e-01 3.90 3.214934230e-02 7.698576563e-02 1.175805246e-01 3.92 3.002550046e-02 7.288901668e-02 1.114049729e-01 3.94 2.802258716e-02 6.898804611e-02 1.055224819e-01 3.96 2.613422354e-02 6.527427976e-02 9.992021286e-02 3.98 2.435434798e-02 6.173947655e-02 9.458583422e-02 4.00 2.267720148e-02 5.837571874e-02 8.950750549e-02 4.02 2.099829660e-02 5.517540204e-02 8.467386125e-02 4.04 1.801990170e-02 5.213122587e-02 8.007399539e-02 4.06 1.129134487e-02 4.923618371e-02 7.569744569e-02 4.08 3.350869085e-03 4.648355342e-02 7.153417848e-02 4.10 2.686957558e-03 4.386688787e-02 6.757457377e-02 4.12 2.239618228e-03 4.138000554e-02 6.380941064e-02 4.14 1.822298897e-03 3.901698131e-02 6.022985285e-02 4.16 1.433390917e-03 3.677213756e-02 5.682743493e-02 4.18 1.071360535e-03 3.464003523e-02 5.359404856e-02 4.20 7.347459724e-04 3.261546523e-02 5.052192919e-02 4.22 4.221546038e-04 3.069344005e-02 4.760364324e-02 4.24 1.322601640e-04 2.886918542e-02 4.483207545e-02 4.26 -1.361999456e-04 2.707409449e-02 4.220041668e-02 4.28 -3.844272751e-04 2.406263857e-02 3.970215211e-02 4.30 -6.135648880e-04 1.726953887e-02 3.733104966e-02 4.32 -8.246998241e-04 1.029371810e-02 3.508114894e-02 4.34 -1.018865493e-03 9.433939183e-03 3.294675047e-02 4.36 -1.197043997e-03 8.624303969e-03 3.092240517e-02 4.38 -1.360168361e-03 7.861459633e-03 2.900290437e-02 4.40 -1.584060879e-03 7.143072878e-03 2.718327002e-02 4.42 -3.124954938e-03 6.466915720e-03 2.545874528e-02 4.44 -7.739346834e-03 5.830861292e-03 2.382478549e-02 4.46 -6.549144503e-03 5.232879729e-03 2.227704933e-02 4.48 1.452633977e-03 4.671034204e-03 2.081139043e-02 4.50 1.381848866e-03 4.143477123e-03 1.942384924e-02 4.52 1.314509945e-03 3.648446387e-03 1.811064516e-02 4.54 1.250449737e-03 3.184261847e-03 1.686816899e-02 4.56 1.189508879e-03 2.749321844e-03 1.569297570e-02 4.58 1.131535722e-03 2.342099870e-03 1.458177743e-02 4.60 1.076385969e-03 1.961141382e-03 1.353143675e-02 4.62 1.023922315e-03 1.605060701e-03 1.253896021e-02 4.64 9.740141122e-04 1.272538027e-03 1.160149215e-02 4.66 9.265370527e-04 9.623165989e-04 1.071630872e-02 4.68 8.813728567e-04 6.731999207e-04 9.880812160e-03 4.70 8.384089841e-04 4.040491170e-04 9.092525273e-03 4.72 7.975383605e-04 1.537804000e-04 8.349086201e-03 4.74 7.586591072e-04 -7.863739564e-05 7.648243308e-03 4.76 7.216742948e-04 -2.941851461e-04 6.987850353e-03 4.78 6.864917032e-04 -4.937956947e-04 6.365861825e-03 4.80 6.530235902e-04 -6.783560272e-04 5.780328460e-03 4.82 6.211864802e-04 -8.487093289e-04 5.229392981e-03 4.84 5.909009540e-04 -1.005656987e-03 4.711285980e-03 4.86 5.620914520e-04 -1.149960501e-03 4.224321979e-03 4.88 5.346860906e-04 -1.282343296e-03 3.766895688e-03 4.90 5.086164805e-04 -1.403492491e-03 3.337478367e-03 4.92 4.800417056e-04 -1.593891824e-03 2.798031065e-03 4.94 4.042594436e-04 -2.799548969e-03 5.251538012e-04 4.96 1.988004416e-04 -6.537144167e-03 -6.209304581e-03 4.98 -7.560411000e-05 -9.507074318e-03 -1.269154488e-02 5.00 -5.710448252e-25 -1.999422734e-23 -2.113563350e-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 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 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