# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Sivaraman-G-Gallington-L-Krishnamoorthy-A-N-et-al--Hf-O # implementation = 2021--Sivaraman-G--Hf-O--LAMMPS--ipr1 # composition = 7238 # 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 2022-12-14 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 1.491709036e+02 nan nan 0.80 1.383686452e+02 nan nan 0.82 1.285646919e+02 nan nan 0.84 1.196041610e+02 nan nan 0.86 1.114009341e+02 nan 1.581712055e+02 0.88 1.037494225e+02 nan 1.476684878e+02 0.90 9.664746937e+01 nan 1.378625676e+02 0.92 9.012048655e+01 nan 1.286629451e+02 0.94 8.426828009e+01 nan 1.201438722e+02 0.96 7.896206458e+01 nan 1.123620477e+02 0.98 7.412059295e+01 nan 1.052442779e+02 1.00 6.971186341e+01 nan 9.886077651e+01 1.02 6.563842962e+01 nan 9.312373025e+01 1.04 6.191979906e+01 nan 8.790978130e+01 1.06 5.856464039e+01 7.656562057e+01 8.323047831e+01 1.08 5.544278876e+01 7.245905853e+01 7.895646206e+01 1.10 5.244988825e+01 6.859314149e+01 7.490849226e+01 1.12 4.962466288e+01 6.497409515e+01 7.097816126e+01 1.14 4.701363164e+01 6.154803239e+01 6.729594530e+01 1.16 4.457360561e+01 5.822411158e+01 6.381050718e+01 1.18 4.226697608e+01 5.502579057e+01 6.053593954e+01 1.20 4.008187852e+01 5.208604728e+01 5.744669434e+01 1.22 3.806416586e+01 4.939929921e+01 5.451312076e+01 1.24 3.620184491e+01 4.694713648e+01 5.175344177e+01 1.26 3.445361791e+01 4.472325701e+01 4.912761326e+01 1.28 3.277832388e+01 4.268468599e+01 4.663443211e+01 1.30 3.112958848e+01 4.078412096e+01 4.430282872e+01 1.32 2.951412349e+01 3.896779241e+01 4.210066348e+01 1.34 2.797426634e+01 3.719926375e+01 3.999753645e+01 1.36 2.651069852e+01 3.553157794e+01 3.804817310e+01 1.38 2.510637689e+01 3.397276213e+01 3.625639713e+01 1.40 2.374806842e+01 3.250793842e+01 3.459877292e+01 1.42 2.242157850e+01 3.112359792e+01 3.304774879e+01 1.44 2.112613687e+01 2.983698275e+01 3.158240458e+01 1.46 1.985095940e+01 2.862977780e+01 3.017358165e+01 1.48 1.859912189e+01 2.746389446e+01 2.878951821e+01 1.50 1.740374891e+01 2.629907863e+01 2.740180037e+01 1.52 1.631150726e+01 2.509686433e+01 2.598647330e+01 1.54 1.531608607e+01 2.382395242e+01 2.463187608e+01 1.56 1.440950741e+01 2.246389709e+01 2.336685042e+01 1.58 1.357582959e+01 2.105709315e+01 2.219141305e+01 1.60 1.279218554e+01 1.962423195e+01 2.110132668e+01 1.62 1.202533553e+01 1.822990370e+01 2.008806533e+01 1.64 1.124255539e+01 1.689383952e+01 1.913988000e+01 1.66 1.043187147e+01 1.562527894e+01 1.825024653e+01 1.68 9.594376803e+00 1.443062422e+01 1.740346014e+01 1.70 8.744044168e+00 1.331404045e+01 1.657928368e+01 1.72 7.891474832e+00 1.227854782e+01 1.575714805e+01 1.74 7.058768544e+00 1.132790859e+01 1.491899613e+01 1.76 6.264699344e+00 1.047321245e+01 1.405910927e+01 1.78 5.549245685e+00 9.720252985e+00 1.317628652e+01 1.80 4.921299530e+00 9.071954031e+00 1.228493777e+01 1.82 4.393042106e+00 8.528445371e+00 1.144100433e+01 1.84 3.960263903e+00 8.083620420e+00 1.065564682e+01 1.86 3.611005129e+00 7.708401625e+00 9.930592774e+00 1.88 3.327899494e+00 7.370343564e+00 9.264577323e+00 1.90 3.090278332e+00 7.036540520e+00 8.654052051e+00 1.92 2.877645761e+00 6.674209789e+00 8.094221329e+00 1.94 2.673564369e+00 6.262426601e+00 7.580031828e+00 1.96 2.468278513e+00 5.798709951e+00 7.106887310e+00 1.98 2.258810416e+00 5.296389181e+00 6.671004968e+00 2.00 2.046717469e+00 4.775832247e+00 6.269388600e+00 2.02 1.837239809e+00 4.262312405e+00 5.907146403e+00 2.04 1.633979485e+00 3.774616185e+00 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