# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kinaci-A-Haskins-J-B-Sevik-C-Cagin-T--B-N-C # implementation = 2012--Kinaci-A--B-N-C--LAMMPS--ipr1 # composition = CN3 # 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 9.425599434e+02 nan nan 0.56 8.231029195e+02 nan nan 0.58 7.194125347e+02 9.897017477e+02 nan 0.60 6.303274957e+02 8.709997239e+02 9.732436963e+02 0.62 5.591553459e+02 7.776748991e+02 8.655434643e+02 0.64 4.955526868e+02 6.944383258e+02 7.685636786e+02 0.66 4.376880242e+02 6.171315161e+02 6.817747911e+02 0.68 3.887072798e+02 5.483720316e+02 6.086114966e+02 0.70 3.446870557e+02 4.893162189e+02 5.482457739e+02 0.72 3.015194407e+02 4.385861841e+02 4.918124374e+02 0.74 2.636509566e+02 3.936897692e+02 4.360626739e+02 0.76 2.342472586e+02 3.495990716e+02 3.855182058e+02 0.78 2.113568861e+02 3.072551792e+02 3.451307646e+02 0.80 1.911572572e+02 2.717583705e+02 3.122449709e+02 0.82 1.720235153e+02 2.442921037e+02 2.831354557e+02 0.84 1.526106593e+02 2.212326620e+02 2.568417434e+02 0.86 1.339206775e+02 2.003779429e+02 2.313138328e+02 0.88 1.175176364e+02 1.817582459e+02 2.065982887e+02 0.90 1.045209752e+02 1.654923114e+02 1.844305236e+02 0.92 9.400515482e+01 1.509838922e+02 1.664494683e+02 0.94 8.480287611e+01 1.375825642e+02 1.513772231e+02 0.96 7.613404714e+01 1.247652878e+02 1.372327484e+02 0.98 6.791871049e+01 1.121751673e+02 1.235380050e+02 1.00 6.034489650e+01 9.910855127e+01 1.109170441e+02 1.02 5.320360768e+01 8.621308255e+01 1.000963068e+02 1.04 4.622730020e+01 7.447413321e+01 9.115999707e+01 1.06 3.901881796e+01 6.477783513e+01 8.331172030e+01 1.08 3.220534294e+01 5.789752615e+01 7.584075052e+01 1.10 2.663678124e+01 5.247254438e+01 6.767656129e+01 1.12 2.206934663e+01 4.770526171e+01 5.897915630e+01 1.14 1.840353583e+01 4.323131317e+01 5.022560325e+01 1.16 1.543697572e+01 3.852472291e+01 4.219153720e+01 1.18 1.313894412e+01 3.348182397e+01 3.607856834e+01 1.20 1.138236813e+01 2.819869221e+01 3.210243915e+01 1.22 9.789794415e+00 2.307692338e+01 2.893711890e+01 1.24 8.349467643e+00 1.879760623e+01 2.613432678e+01 1.26 7.051995661e+00 1.603769192e+01 2.356209255e+01 1.28 5.884927712e+00 1.402483296e+01 2.120151447e+01 1.30 4.836834789e+00 1.228362091e+01 1.902716998e+01 1.32 3.897228453e+00 1.070525753e+01 1.697246396e+01 1.34 3.056485978e+00 9.271207764e+00 1.480738787e+01 1.36 2.305781346e+00 7.969712814e+00 1.254573475e+01 1.38 1.637021629e+00 6.789923079e+00 1.024847233e+01 1.40 1.042788349e+00 5.721829659e+00 8.049068069e+00 1.42 5.162834286e-01 4.756200969e+00 6.127127473e+00 1.44 5.127937856e-02 3.884524073e+00 4.668184342e+00 1.46 -3.579266060e-01 3.098950371e+00 3.710952660e+00 1.48 -7.165549430e-01 2.392245339e+00 2.913670134e+00 1.50 -1.029382634e+00 1.757742007e+00 2.208755732e+00 1.52 -1.314194347e+00 1.189297905e+00 1.574265994e+00 1.54 -1.658807907e+00 6.812552260e-01 1.003863316e+00 1.56 -2.070333264e+00 2.284039504e-01 4.922860156e-01 1.58 -2.537783338e+00 -1.740522658e-01 3.466910325e-02 1.60 -3.043648175e+00 -5.305276584e-01 -3.734843585e-01 1.62 -3.553276471e+00 -8.754492407e-01 -7.363298819e-01 1.64 -3.997976782e+00 -1.241701213e+00 -1.057706300e+00 1.66 -4.261685671e+00 -1.611023827e+00 -1.341158764e+00 1.68 -4.155613949e+00 -1.972163503e+00 -1.589960116e+00 1.70 -3.829349107e+00 -2.312985262e+00 -1.807130746e+00 1.72 -3.365025003e+00 -2.619517999e+00 -1.995457045e+00 1.74 -2.776156163e+00 -2.868578596e+00 -2.157508543e+00 1.76 -2.101423694e+00 -3.027572466e+00 -2.295653833e+00 1.78 -1.405466697e+00 -3.075020373e+00 -2.412075363e+00 1.80 -7.747036007e-01 -3.078805250e+00 -2.508783167e+00 1.82 -3.293816295e-01 -3.070802665e+00 -2.587627627e+00 1.84 -2.248523559e-01 -3.053654909e+00 -2.650311312e+00 1.86 -2.237531232e-01 -3.025050827e+00 -2.701565777e+00 1.88 -2.168582239e-01 -2.954414621e+00 -2.748968936e+00 1.90 -2.075685030e-01 -2.822323901e+00 -2.759992939e+00 1.92 -1.944688148e-01 -2.609303108e+00 -2.693231598e+00 1.94 -1.743106791e-01 -2.301398552e+00 -2.511627332e+00 1.96 -1.487810763e-01 -1.899435558e+00 -2.192432800e+00 1.98 -1.198828213e-01 -1.421461329e+00 -1.735663759e+00 2.00 -8.985932927e-02 -9.097597919e-01 -1.175906046e+00 2.02 -6.108243620e-02 -4.386876243e-01 -5.993788901e-01 2.04 -3.588912508e-02 -1.200315755e-01 -1.691963629e-01 2.06 -1.636870227e-02 -3.951995670e-02 -5.640349187e-02 2.08 -4.118925254e-03 -1.053068641e-02 -1.546978194e-02 2.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.18 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