{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.26823 ] [ 0.666667 0.333333 0.73177 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.138352 0.861648 0.77071 ] [ 0.723296 0.861648 0.77071 ] [ 0.138352 0.276704 0.77071 ] [ 0.276704 0.138352 0.22929 ] [ 0.861648 0.723296 0.22929 ] [ 0.861648 0.138352 0.22929 ] ] } "species" { "source-value" [ "Cs" "Cs" "Li" "Ga" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.36087573 "source-unit" "angstrom" } "c" { "source-value" 5.17959732 "source-unit" "angstrom" } }