{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.845543 0.845543 0.154457 ] [ 0.845543 0.154457 0.845543 ] [ 0.154457 0.845543 0.845543 ] [ 0.154457 0.154457 0.154457 ] [ 0.345543 0.345543 0.654457 ] [ 0.345543 0.654457 0.345543 ] [ 0.654457 0.345543 0.345543 ] [ 0.654457 0.654457 0.654457 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.140955 0.140955 0.341027 ] [ 0.658973 0.859045 0.140955 ] [ 0.859045 0.341027 0.859045 ] [ 0.341027 0.140955 0.140955 ] [ 0.341027 0.859045 0.859045 ] [ 0.859045 0.859045 0.341027 ] [ 0.658973 0.140955 0.859045 ] [ 0.140955 0.859045 0.658973 ] [ 0.859045 0.140955 0.658973 ] [ 0.140955 0.341027 0.140955 ] [ 0.859045 0.658973 0.140955 ] [ 0.140955 0.658973 0.859045 ] [ 0.640955 0.640955 0.841027 ] [ 0.158973 0.359045 0.640955 ] [ 0.359045 0.841027 0.359045 ] [ 0.841027 0.640955 0.640955 ] [ 0.841027 0.359045 0.359045 ] [ 0.359045 0.359045 0.841027 ] [ 0.158973 0.640955 0.359045 ] [ 0.640955 0.359045 0.158973 ] [ 0.359045 0.640955 0.158973 ] [ 0.640955 0.841027 0.640955 ] [ 0.359045 0.158973 0.640955 ] [ 0.640955 0.158973 0.359045 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "Pt" "Pt" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 8.43547976503 "source-unit" "angstrom" } }