{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.375828 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.624172 ] [ 0.333333 0.666667 0.145923 ] [ 0.666667 0.333333 0.854077 ] [ 0.620124 0.724004 0.264219 ] [ 0.275996 0.89612 0.264219 ] [ 0.10388 0.379876 0.264219 ] [ 0.379876 0.275996 0.735781 ] [ 0.89612 0.620124 0.735781 ] [ 0.724004 0.10388 0.735781 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Te" "Te" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.40495744 "source-unit" "angstrom" } "c" { "source-value" 7.20373512 "source-unit" "angstrom" } }