# 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 = CSi3 # 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 3.508931922e+02 nan nan 0.84 3.244536217e+02 nan nan 0.86 3.010492399e+02 nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.038035034e+02 nan 3.017785104e+02 0.98 1.901294721e+02 nan nan 1.00 1.766361285e+02 2.403885431e+02 2.667108741e+02 1.02 1.640534464e+02 2.250135463e+02 2.497027591e+02 1.04 1.533451835e+02 nan 2.332143107e+02 1.06 1.447654108e+02 1.992150788e+02 2.169184623e+02 1.08 1.379762044e+02 1.861980774e+02 2.019136964e+02 1.10 1.316462332e+02 1.733299794e+02 1.906321984e+02 1.12 1.253967039e+02 1.617330234e+02 1.813964913e+02 1.14 1.191693541e+02 1.521499170e+02 1.722931323e+02 1.16 1.129266976e+02 1.442557490e+02 1.633591248e+02 1.18 1.066490972e+02 1.369022254e+02 1.549859450e+02 1.20 1.003792594e+02 1.296946001e+02 1.471966205e+02 1.22 9.433662877e+01 1.227549821e+02 1.393895065e+02 1.24 8.893436909e+01 1.163514377e+02 1.315239137e+02 1.26 8.388039708e+01 1.107907623e+02 1.237178612e+02 1.28 7.904904305e+01 1.057649600e+02 1.164076938e+02 1.30 7.476391373e+01 1.010316616e+02 1.103311250e+02 1.32 7.067899450e+01 9.646877272e+01 1.048719316e+02 1.34 6.656380746e+01 9.207421956e+01 9.942494507e+01 1.36 6.266168131e+01 8.766757003e+01 9.400104682e+01 1.38 5.907317978e+01 8.317975761e+01 8.864761113e+01 1.40 5.554262919e+01 7.861132961e+01 8.345204478e+01 1.42 5.200472443e+01 7.401961380e+01 7.866705786e+01 1.44 4.861716936e+01 6.957500559e+01 7.473059305e+01 1.46 4.543426051e+01 6.542579206e+01 7.160507401e+01 1.48 4.192568055e+01 6.145346835e+01 6.857915699e+01 1.50 3.750040164e+01 5.801051799e+01 6.551256756e+01 1.52 3.222764544e+01 5.561333668e+01 6.247481929e+01 1.54 2.857555473e+01 5.359452753e+01 5.952240839e+01 1.56 2.728788376e+01 5.157928205e+01 5.655733894e+01 1.58 2.631702779e+01 4.955465355e+01 5.349976638e+01 1.60 2.537355438e+01 4.750362940e+01 5.029279517e+01 1.62 2.445596999e+01 4.540612538e+01 4.678471517e+01 1.64 2.356288673e+01 4.323347165e+01 4.293305090e+01 1.66 2.269297944e+01 4.093451038e+01 3.972983465e+01 1.68 2.184497921e+01 3.840714965e+01 3.810891010e+01 1.70 2.101766717e+01 3.546630334e+01 3.693427705e+01 1.72 2.020986854e+01 3.193389785e+01 3.578111826e+01 1.74 1.942044697e+01 2.814016569e+01 3.464503034e+01 1.76 1.864829907e+01 2.533268589e+01 3.352355276e+01 1.78 1.789173174e+01 2.405759281e+01 3.241412896e+01 1.80 1.714327732e+01 2.317543680e+01 3.131405556e+01 1.82 1.639270498e+01 2.229428145e+01 3.021272732e+01 1.84 1.563039542e+01 2.140579727e+01 2.908238887e+01 1.86 1.484730640e+01 2.050437124e+01 2.789355529e+01 1.88 1.403485066e+01 1.958414284e+01 2.661514856e+01 1.90 1.318478632e+01 1.863904811e+01 2.521130833e+01 1.92 1.228921601e+01 1.766307655e+01 2.363945310e+01 1.94 1.134084548e+01 1.665090177e+01 2.185466464e+01 1.96 1.033373918e+01 1.559910667e+01 1.983162039e+01 1.98 9.264920094e+00 1.450821623e+01 1.762019269e+01 2.00 8.137231458e+00 1.338399781e+01 1.542664413e+01 2.02 6.963713102e+00 1.223949596e+01 1.362484474e+01 2.04 5.772957972e+00 1.110005274e+01 1.250751206e+01 2.06 4.613099770e+00 1.000311187e+01 1.184628464e+01 2.08 3.549501012e+00 8.991848489e+00 1.122792925e+01 2.10 2.635530048e+00 8.102146784e+00 1.058556075e+01 2.12 1.878073009e+00 7.346302747e+00 9.912769252e+00 2.14 1.244243987e+00 6.699531548e+00 9.203519523e+00 2.16 6.692010596e-01 6.099988864e+00 8.452198188e+00 2.18 8.379802074e-02 5.493876857e+00 7.653986967e+00 2.20 -5.583851057e-01 4.872442256e+00 6.805608586e+00 2.22 -1.267605415e+00 4.237133218e+00 5.906630957e+00 2.24 -1.982666032e+00 3.580582670e+00 4.961503989e+00 2.26 -2.567156127e+00 2.895920935e+00 3.982339843e+00 2.28 -2.897416246e+00 2.180023202e+00 2.991972376e+00 2.30 -2.939174674e+00 1.434021950e+00 2.025942472e+00 2.32 -2.645781556e+00 6.641805956e-01 1.131046083e+00 2.34 -1.810583549e+00 -1.157508929e-01 3.578744382e-01 2.36 -1.025060920e+00 -8.790392960e-01 -2.534606001e-01 2.38 -1.052499229e+00 -1.580911081e+00 -6.890059453e-01 2.40 -1.195440427e+00 -2.162300072e+00 -9.679032341e-01 2.42 -1.322342050e+00 -2.569897545e+00 -1.134087970e+00 2.44 -1.432373227e+00 -2.787353036e+00 -1.236770354e+00 2.46 -1.525083423e+00 -2.844508918e+00 -1.314633249e+00 2.48 -1.600107022e+00 -2.793639823e+00 -1.391198123e+00 2.50 -1.657178769e+00 -2.713465285e+00 -1.469232716e+00 2.52 -1.696148518e+00 -2.667224882e+00 -1.536243450e+00 2.54 -1.716994104e+00 -2.633972243e+00 -1.587541186e+00 2.56 -1.719498853e+00 -2.590511077e+00 -1.626074406e+00 2.58 -1.703128487e+00 -2.543163487e+00 -1.667966679e+00 2.60 -1.668904782e+00 -2.498888039e+00 -1.729725052e+00 2.62 -1.618647052e+00 -2.462335968e+00 -1.823232601e+00 2.64 -1.554076081e+00 -2.435253989e+00 -1.954427666e+00 2.66 -1.476398335e+00 -2.415827734e+00 -2.121768687e+00 2.68 -1.386211242e+00 -2.397982383e+00 -2.314434156e+00 2.70 -1.283601055e+00 -2.370741410e+00 -2.510443551e+00 2.72 -1.168356495e+00 -2.317988414e+00 -2.675462180e+00 2.74 -1.040243851e+00 -2.219473963e+00 -2.764008380e+00 2.76 -8.993026333e-01 -2.054135607e+00 -2.725821675e+00 2.78 -7.462665896e-01 -1.806825184e+00 -2.519961872e+00 2.80 -5.835977819e-01 -1.477466300e+00 -2.135251474e+00 2.82 -4.175201714e-01 -1.088901975e+00 -1.608733311e+00 2.84 -2.597813868e-01 -6.882708882e-01 -1.027942469e+00 2.86 -1.273138473e-01 -3.391742997e-01 -5.084324094e-01 2.88 -3.905684701e-02 -1.041474406e-01 -1.562170096e-01 2.90 -3.820998468e-03 -1.018932853e-02 -1.528399208e-02 2.92 -4.977625509e-06 -1.327366803e-05 -1.991050204e-05 2.94 -9.579189127e-82 -2.554450434e-81 -3.831675651e-81 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 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