{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0 0.337072 0.5 ] [ 0.662928 0.662928 0.5 ] [ 0.337072 0 0.5 ] [ 0 0.670033 0 ] [ 0.329967 0.329967 0 ] [ 0.670033 0 0 ] [ 0.333333 0.666667 0.248611 ] [ 0.333333 0.666667 0.776887 ] [ 0 0 0.238108 ] [ 0 0 0.761892 ] [ 0.666667 0.333333 0.751389 ] [ 0.666667 0.333333 0.223113 ] [ 0.088922 0.902817 0.761792 ] [ 0.222321 0.74181 0.250082 ] [ 0.146411 0.574329 0.780972 ] [ 0.097183 0.186105 0.761792 ] [ 0.427919 0.853589 0.780972 ] [ 0.25819 0.480511 0.250082 ] [ 0.519489 0.777679 0.250082 ] [ 0.186105 0.097183 0.238208 ] [ 0.425671 0.572081 0.780972 ] [ 0.480511 0.25819 0.749918 ] [ 0.572081 0.425671 0.219028 ] [ 0.813895 0.911078 0.761792 ] [ 0.911078 0.813895 0.238208 ] [ 0.574329 0.146411 0.219028 ] [ 0.777679 0.519489 0.749918 ] [ 0.74181 0.222321 0.749918 ] [ 0.853589 0.427919 0.219028 ] [ 0.902817 0.088922 0.238208 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "V" "V" "V" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.03348025 "source-unit" "angstrom" } "c" { "source-value" 5.36848235 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.397744725333334 "source-unit" "eV" } }