# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Ni # implementation = 2025--Sharifi-H--Co-Ni--LAMMPS--ipr1 # composition = CoNi # 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 2025-07-01 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan 6.240927882e+02 6.240927882e+02 nan nan 0.80 nan nan nan nan 5.621351280e+02 5.621351280e+02 nan nan 0.82 nan nan nan nan 5.063487143e+02 5.063487143e+02 nan nan 0.84 nan nan nan nan 4.560991283e+02 4.560991283e+02 nan nan 0.86 nan nan nan nan 4.108191648e+02 4.108191648e+02 nan nan 0.88 nan nan nan nan 3.700023655e+02 3.700023655e+02 nan nan 0.90 5.236312675e+02 5.236312675e+02 nan nan 3.331967178e+02 3.331967178e+02 nan nan 0.92 4.721076395e+02 4.721076395e+02 nan nan 2.999987351e+02 2.999987351e+02 nan nan 0.94 4.256424203e+02 4.256424203e+02 nan nan 2.700480098e+02 2.700480098e+02 nan nan 0.96 3.837310061e+02 3.837310061e+02 nan nan 2.430223046e+02 2.430223046e+02 nan nan 0.98 3.459205308e+02 3.459205308e+02 5.889751829e+02 5.889751829e+02 2.186331713e+02 2.186331713e+02 nan nan 1.00 3.118045830e+02 3.118045830e+02 5.308681254e+02 5.308681254e+02 1.966220661e+02 1.966220661e+02 6.843261234e+02 6.843261234e+02 1.02 2.810183380e+02 2.810183380e+02 4.781195338e+02 4.781195338e+02 1.767569379e+02 1.767569379e+02 6.243589331e+02 6.243589331e+02 1.04 2.532341255e+02 2.532341255e+02 4.303546160e+02 4.303546160e+02 1.588292324e+02 1.588292324e+02 5.688072845e+02 5.688072845e+02 1.06 2.281574396e+02 2.281574396e+02 3.871898217e+02 3.871898217e+02 1.426512682e+02 1.426512682e+02 5.173917245e+02 5.173917245e+02 1.08 2.055233808e+02 2.055233808e+02 3.482455527e+02 3.482455527e+02 1.280539475e+02 1.280539475e+02 4.699795871e+02 4.699795871e+02 1.10 1.850934875e+02 1.850934875e+02 3.131547200e+02 3.131547200e+02 1.148847479e+02 1.148847479e+02 4.263967723e+02 4.263967723e+02 1.12 1.666529306e+02 1.666529306e+02 2.815682552e+02 2.815682552e+02 1.030059668e+02 1.030059668e+02 3.864423744e+02 3.864423744e+02 1.14 1.500080341e+02 1.500080341e+02 2.531584047e+02 2.531584047e+02 9.229318101e+01 9.229318101e+01 3.498999737e+02 3.498999737e+02 1.16 1.349840775e+02 1.349840775e+02 2.276204149e+02 2.276204149e+02 8.263389091e+01 8.263389091e+01 3.165460629e+02 3.165460629e+02 1.18 1.214233560e+02 1.214233560e+02 2.046730877e+02 2.046730877e+02 7.392632540e+01 7.392632540e+01 2.861562723e+02 2.861562723e+02 1.20 1.091834609e+02 1.091834609e+02 1.840585487e+02 1.840585487e+02 6.607838561e+01 6.607838561e+01 2.585098929e+02 2.585098929e+02 1.22 9.813575260e+01 9.813575260e+01 1.655414810e+02 1.655414810e+02 5.900670531e+01 5.900670531e+01 2.333930858e+02 2.333930858e+02 1.24 8.816400532e+01 8.816400532e+01 1.489080226e+02 1.489080226e+02 5.263581636e+01 5.263581636e+01 2.106010905e+02 2.106010905e+02 1.26 7.916319749e+01 7.916319749e+01 1.339644584e+02 1.339644584e+02 4.689740187e+01 4.689740187e+01 1.899396642e+02 1.899396642e+02 1.28 7.103843062e+01 7.103843062e+01 1.205358079e+02 1.205358079e+02 4.172962639e+01 4.172962639e+01 1.712259374e+02 1.712259374e+02 1.30 6.370396276e+01 6.370396276e+01 1.084643811e+02 1.084643811e+02 3.707653492e+01 3.707653492e+01 1.542888334e+02 1.542888334e+02 1.32 5.708233835e+01 5.708233835e+01 9.760834686e+01 9.760834686e+01 3.288750960e+01 3.288750960e+01 1.389691560e+02 1.389691560e+02 1.34 5.110360566e+01 5.110360566e+01 8.784034946e+01 8.784034946e+01 2.911677897e+01 2.911677897e+01 1.251194384e+02 1.251194384e+02 1.36 4.570461155e+01 4.570461155e+01 7.904619398e+01 7.904619398e+01 2.572297394e+01 2.572297394e+01 1.126036183e+02 1.126036183e+02 1.38 4.082836232e+01 4.082836232e+01 7.112361016e+01 7.112361016e+01 2.266872349e+01 2.266872349e+01 1.012965889e+02 1.012965889e+02 1.40 3.642344595e+01 3.642344595e+01 6.398110431e+01 6.398110431e+01 1.992028786e+01 1.992028786e+01 9.108366954e+01 9.108366954e+01 1.42 3.244350808e+01 3.244350808e+01 5.753689962e+01 5.753689962e+01 1.744722446e+01 1.744722446e+01 8.186002461e+01 8.186002461e+01 1.44 2.884677486e+01 2.884677486e+01 5.171796273e+01 5.171796273e+01 1.522208280e+01 1.522208280e+01 7.353005401e+01 7.353005401e+01 1.46 2.559560965e+01 2.559560965e+01 4.645911616e+01 4.645911616e+01 1.322012696e+01 1.322012696e+01 6.600677484e+01 6.600677484e+01 1.48 2.265610225e+01 2.265610225e+01 4.170223021e+01 4.170223021e+01 1.141908193e+01 1.141908193e+01 5.921120573e+01 5.921120573e+01 1.50 1.999771443e+01 1.999771443e+01 3.739548981e+01 3.739548981e+01 9.798902059e+00 9.798902059e+00 5.307176400e+01 5.307176400e+01 1.52 1.759296176e+01 1.759296176e+01 3.349273239e+01 3.349273239e+01 8.341560112e+00 8.341560112e+00 4.752368186e+01 4.752368186e+01 1.54 1.541712253e+01 1.541712253e+01 2.995284920e+01 2.995284920e+01 7.030854451e+00 7.030854451e+00 4.250844644e+01 4.250844644e+01 1.56 1.344797264e+01 1.344797264e+01 2.673924619e+01 2.673924619e+01 5.852233290e+00 5.852233290e+00 3.797327227e+01 3.797327227e+01 1.58 1.166554416e+01 1.166554416e+01 2.381935948e+01 2.381935948e+01 4.792634732e+00 4.792634732e+00 3.387060514e+01 3.387060514e+01 1.60 1.005190488e+01 1.005190488e+01 2.116421952e+01 2.116421952e+01 3.840340701e+00 3.840340701e+00 3.015765640e+01 3.015765640e+01 1.62 8.590958004e+00 8.590958004e+00 1.874806033e+01 1.874806033e+01 2.984844275e+00 2.984844275e+00 2.679596941e+01 2.679596941e+01 1.64 7.268260077e+00 7.268260077e+00 1.654796910e+01 1.654796910e+01 2.216729048e+00 2.216729048e+00 2.375101689e+01 2.375101689e+01 1.66 6.070855159e+00 6.070855159e+00 1.454357191e+01 1.454357191e+01 1.527559340e+00 1.527559340e+00 2.099182842e+01 2.099182842e+01 1.68 4.987124751e+00 4.987124751e+00 1.271675295e+01 1.271675295e+01 9.097808068e-01 9.097808068e-01 1.849064764e+01 1.849064764e+01 1.70 4.006651507e+00 4.006651507e+00 1.105140311e+01 1.105140311e+01 3.566302171e-01 3.566302171e-01 1.622261721e+01 1.622261721e+01 1.72 3.120095730e+00 3.120095730e+00 9.533195205e+00 9.533195205e+00 -1.379462985e-01 -1.379462985e-01 1.416549031e+01 1.416549031e+01 1.74 2.319083384e+00 2.319083384e+00 8.149382753e+00 8.149382753e+00 -5.793673608e-01 -5.793673608e-01 1.229936657e+01 1.229936657e+01 1.76 1.596075260e+00 1.596075260e+00 6.888579439e+00 6.888579439e+00 -9.725030545e-01 -9.725030545e-01 1.060641436e+01 1.060641436e+01 1.78 9.442009726e-01 9.442009726e-01 5.740465554e+00 5.740465554e+00 -1.321785142e+00 -1.321785142e+00 9.070557744e+00 9.070557744e+00 1.80 3.571753661e-01 3.571753661e-01 4.695586975e+00 4.695586975e+00 -1.631262575e+00 -1.631262575e+00 7.677276326e+00 7.677276326e+00 1.82 -1.707510487e-01 -1.707510487e-01 3.745268596e+00 3.745268596e+00 -1.904633982e+00 -1.904633982e+00 6.413457471e+00 6.413457471e+00 1.84 -6.448370593e-01 -6.448370593e-01 2.881550693e+00 2.881550693e+00 -2.145277053e+00 -2.145277053e+00 5.267262295e+00 5.267262295e+00 1.86 -1.069891914e+00 -1.069891914e+00 2.097130241e+00 2.097130241e+00 -2.356275632e+00 -2.356275632e+00 4.228003432e+00 4.228003432e+00 1.88 -1.450313092e+00 -1.450313092e+00 1.385307003e+00 1.385307003e+00 -2.540444575e+00 -2.540444575e+00 3.286033900e+00 3.286033900e+00 1.90 -1.790120794e+00 -1.790120794e+00 7.399342098e-01 7.399342098e-01 -2.700352445e+00 -2.700352445e+00 2.432646193e+00 2.432646193e+00 1.92 -2.092989598e+00 -2.092989598e+00 1.553732612e-01 1.553732612e-01 -2.838342324e+00 -2.838342324e+00 1.659980749e+00 1.659980749e+00 1.94 -2.362277467e+00 -2.362277467e+00 -3.735478714e-01 -3.735478714e-01 -2.956550893e+00 -2.956550893e+00 9.609426488e-01 9.609426488e-01 1.96 -2.601052281e+00 -2.601052281e+00 -8.515727291e-01 -8.515727291e-01 -3.056925860e+00 -3.056925860e+00 3.291162999e-01 3.291162999e-01 1.98 -2.812116211e+00 -2.812116211e+00 -1.283051410e+00 -1.283051410e+00 -3.141241977e+00 -3.141241977e+00 -2.413352797e-01 -2.413352797e-01 2.00 -2.998028040e+00 -2.998028040e+00 -1.671972718e+00 -1.671972718e+00 -3.211115696e+00 -3.211115696e+00 -7.557515627e-01 -7.557515627e-01 2.02 -3.161123603e+00 -3.161123603e+00 -2.021993643e+00 -2.021993643e+00 -3.268018585e+00 -3.268018585e+00 -1.219019948e+00 -1.219019948e+00 2.04 -3.303534578e+00 -3.303534578e+00 -2.336466506e+00 -2.336466506e+00 -3.313289656e+00 -3.313289656e+00 -1.635613451e+00 -1.635613451e+00 2.06 -3.427205681e+00 -3.427205681e+00 -2.618463847e+00 -2.618463847e+00 -3.348146645e+00 -3.348146645e+00 -2.009625239e+00 -2.009625239e+00 2.08 -3.533910433e+00 -3.533910433e+00 -2.870801286e+00 -2.870801286e+00 -3.373696340e+00 -3.373696340e+00 -2.344800333e+00 -2.344800333e+00 2.10 -3.625265656e+00 -3.625265656e+00 -3.096058568e+00 -3.096058568e+00 -3.390944085e+00 -3.390944085e+00 -2.644564730e+00 -2.644564730e+00 2.12 -3.702744723e+00 -3.702744723e+00 -3.296598853e+00 -3.296598853e+00 -3.400802451e+00 -3.400802451e+00 -2.912052078e+00 -2.912052078e+00 2.14 -3.767689742e+00 -3.767689742e+00 -3.474586470e+00 -3.474586470e+00 -3.404099210e+00 -3.404099210e+00 -3.150128170e+00 -3.150128170e+00 2.16 -3.821322725e+00 -3.821322725e+00 -3.632003237e+00 -3.632003237e+00 -3.401584643e+00 -3.401584643e+00 -3.361413424e+00 -3.361413424e+00 2.18 -3.864755815e+00 -3.864755815e+00 -3.770663152e+00 -3.770663152e+00 -3.393938220e+00 -3.393938220e+00 -3.548303480e+00 -3.548303480e+00 2.20 -3.899000691e+00 -3.899000691e+00 -3.892224741e+00 -3.892224741e+00 -3.381774746e+00 -3.381774746e+00 -3.712988114e+00 -3.712988114e+00 2.22 -3.924977181e+00 -3.924977181e+00 -3.998205084e+00 -3.998205084e+00 -3.365649983e+00 -3.365649983e+00 -3.857468578e+00 -3.857468578e+00 2.24 -3.943521151e+00 -3.943521151e+00 -4.089992358e+00 -4.089992358e+00 -3.346065795e+00 -3.346065795e+00 -3.983573498e+00 -3.983573498e+00 2.26 -3.955391762e+00 -3.955391762e+00 -4.168856482e+00 -4.168856482e+00 -3.323474877e+00 -3.323474877e+00 -4.092973465e+00 -4.092973465e+00 2.28 -3.961278106e+00 -3.961278106e+00 -4.235958869e+00 -4.235958869e+00 -3.298285082e+00 -3.298285082e+00 -4.187194409e+00 -4.187194409e+00 2.30 -3.961804913e+00 -3.961804913e+00 -4.292360894e+00 -4.292360894e+00 -3.270863121e+00 -3.270863121e+00 -4.267629381e+00 -4.267629381e+00 2.32 -3.957524516e+00 -3.957524516e+00 -4.339013986e+00 -4.339013986e+00 -3.241529119e+00 -3.241529119e+00 -4.335532515e+00 -4.335532515e+00 2.34 -3.948920958e+00 -3.948920958e+00 -4.376765873e+00 -4.376765873e+00 -3.210559262e+00 -3.210559262e+00 -4.392028069e+00 -4.392028069e+00 2.36 -3.936433800e+00 -3.936433800e+00 -4.406393045e+00 -4.406393045e+00 -3.178201590e+00 -3.178201590e+00 -4.438144119e+00 -4.438144119e+00 2.38 -3.920463138e+00 -3.920463138e+00 -4.428608122e+00 -4.428608122e+00 -3.144679254e+00 -3.144679254e+00 -4.474822147e+00 -4.474822147e+00 2.40 -3.901372982e+00 -3.901372982e+00 -4.444065006e+00 -4.444065006e+00 -3.110192700e+00 -3.110192700e+00 -4.502924266e+00 -4.502924266e+00 2.42 -3.879494356e+00 -3.879494356e+00 -4.453363623e+00 -4.453363623e+00 -3.074921655e+00 -3.074921655e+00 -4.523238782e+00 -4.523238782e+00 2.44 -3.855128147e+00 -3.855128147e+00 -4.457054288e+00 -4.457054288e+00 -3.039026965e+00 -3.039026965e+00 -4.536483152e+00 -4.536483152e+00 2.46 -3.828547710e+00 -3.828547710e+00 -4.455641726e+00 -4.455641726e+00 -3.002652255e+00 -3.002652255e+00 -4.543313415e+00 -4.543313415e+00 2.48 -3.800001263e+00 -3.800001263e+00 -4.449588775e+00 -4.449588775e+00 -2.965925472e+00 -2.965925472e+00 -4.544330881e+00 -4.544330881e+00 2.50 -3.769714082e+00 -3.769714082e+00 -4.439319794e+00 -4.439319794e+00 -2.928960281e+00 -2.928960281e+00 -4.540086691e+00 -4.540086691e+00 2.52 -3.737890509e+00 -3.737890509e+00 -4.425223797e+00 -4.425223797e+00 -2.891857350e+00 -2.891857350e+00 -4.531085988e+00 -4.531085988e+00 2.54 -3.704715799e+00 -3.704715799e+00 -4.407657341e+00 -4.407657341e+00 -2.854705524e+00 -2.854705524e+00 -4.517791754e+00 -4.517791754e+00 2.56 -3.670357803e+00 -3.670357803e+00 -4.386947187e+00 -4.386947187e+00 -2.817582896e+00 -2.817582896e+00 -4.500628316e+00 -4.500628316e+00 2.58 -3.634968519e+00 -3.634968519e+00 -4.363392742e+00 -4.363392742e+00 -2.780557793e+00 -2.780557793e+00 -4.479984576e+00 -4.479984576e+00 2.60 -3.598685505e+00 -3.598685505e+00 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