{ "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" [ [ 0.666667 0.333333 0.028905 ] [ 0.333333 0.666667 0.971095 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.667563 ] [ 0.333333 0.666667 0.332437 ] [ 0.831137 0.662273 0.224892 ] [ 0.337727 0.168863 0.224892 ] [ 0.168863 0.831137 0.775108 ] [ 0.831137 0.168863 0.224892 ] [ 0.662273 0.831137 0.775108 ] [ 0.168863 0.337727 0.775108 ] ] } "species" { "source-value" [ "Li" "Li" "Ni" "Ni" "Ni" "Ni" "O" "O" "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" 5.94214485 "source-unit" "angstrom" } "c" { "source-value" 5.05275904 "source-unit" "angstrom" } }