{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.096379 ] [ 0 0 0.008702 ] [ 0 0 0.508702 ] [ 0.333333 0.666667 0.596379 ] [ 0.339903 0.169951 0.786082 ] [ 0.830049 0.660097 0.786082 ] [ 0.830049 0.169951 0.786082 ] [ 0.169951 0.830049 0.286082 ] [ 0.169951 0.339903 0.286082 ] [ 0.660097 0.830049 0.286082 ] [ 0.666667 0.333333 0.512292 ] [ 0.333333 0.666667 0.012292 ] [ 0.331107 0.165554 0.405073 ] [ 0.518611 0.481389 0.656709 ] [ 0.666667 0.333333 0.891381 ] [ 0 0 0.693832 ] [ 0 0 0.193832 ] [ 0.834446 0.668893 0.405073 ] [ 0.518611 0.037221 0.656709 ] [ 0.962779 0.481389 0.656709 ] [ 0.165554 0.834446 0.905073 ] [ 0.834446 0.165554 0.405073 ] [ 0.037221 0.518611 0.156709 ] [ 0.481389 0.962779 0.156709 ] [ 0.333333 0.666667 0.391381 ] [ 0.165554 0.331107 0.905073 ] [ 0.481389 0.518611 0.156709 ] [ 0.668893 0.834446 0.905073 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.96971206 "source-unit" "angstrom" } "c" { "source-value" 9.62556584 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.937518012857143 "source-unit" "eV" } }