{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 2.79921 2.611653 2.495412 2.410957 2.344586 2.289903 2.243402 2.202951 2.167154 2.13505 2.105949 2.079335 2.054818 2.032091 2.01091 1.991077 1.972433 1.954842 1.938191 1.922386 1.907344 1.892995 1.879278 1.86614 1.852858 1.839171 1.825053 1.810476 1.79541 1.77982 1.76367 1.746916 1.729512 1.711406 1.692538 1.672843 1.652242 1.630651 1.607967 1.584076 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.79921e-10 2.611653e-10 2.495412e-10 2.410957e-10 2.344586e-10 2.289903e-10 2.243402e-10 2.2029510000000002e-10 2.167154e-10 2.1350500000000003e-10 2.105949e-10 2.079335e-10 2.054818e-10 2.0320909999999999e-10 2.01091e-10 1.9910770000000001e-10 1.9724330000000003e-10 1.954842e-10 1.938191e-10 1.922386e-10 1.907344e-10 1.892995e-10 1.8792780000000001e-10 1.86614e-10 1.852858e-10 1.839171e-10 1.825053e-10 1.810476e-10 1.79541e-10 1.77982e-10 1.76367e-10 1.7469159999999999e-10 1.729512e-10 1.711406e-10 1.692538e-10 1.6728430000000002e-10 1.652242e-10 1.630651e-10 1.607967e-10 1.584076e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 43.1984 63.898 84.5806 102.173 117.3 130.275 141.671 151.739 160.374 167.458 173.265 178.278 182.881 187.216 191.264 194.94 198.171 200.943 203.285 205.204 206.689 207.73 208.328 208.517 208.329 207.754 206.778 205.365 203.442 200.906 197.657 193.638 188.852 183.339 177.108 170.059 161.833 151.915 139.746 124.793 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.921146710618559e-18 1.02375882559332e-17 1.355130610097004e-17 1.63699193225682e-17 1.879353191682e-17 2.0872356099435e-17 2.26981965915414e-17 2.43112680266526e-17 2.5694747550111597e-17 2.6829729477637197e-17 2.7760113449001e-17 2.8563284595625194e-17 2.93007665002554e-17 2.99953100710944e-17 3.0643871172537597e-17 3.1232831303195997e-17 3.1750494573641396e-17 3.21946179365862e-17 3.2569847704269e-17 3.28773054003336e-17 3.31152286304826e-17 3.3282015218082e-17 3.33778253807952e-17 3.34081065191778e-17 3.33779855984586e-17 3.32858604420036e-17 3.31294880025252e-17 3.2903100444141e-17 3.25950018774228e-17 3.21886898830404e-17 3.16681426946538e-17 3.10242279054492e-17 3.02574261684168e-17 2.93741461900926e-17 2.83758299294472e-17 2.7246455620140598e-17 2.5928505121012198e-17 2.4339466335410998e-17 2.23897775894964e-17 1.99940428686762e-17 ] } }