{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.698077 0 ] [ 0 0.301923 0 ] [ 0.5 0.198077 0 ] [ 0.5 0.801923 0 ] [ 0 0.909871 0.5 ] [ 0 0.090129 0.5 ] [ 0.629179 0 0.5 ] [ 0.370821 0 0.5 ] [ 0.220891 0.155968 0.5 ] [ 0.779109 0.844032 0.5 ] [ 0.220891 0.844032 0.5 ] [ 0.779109 0.155968 0.5 ] [ 0.5 0.409871 0.5 ] [ 0.5 0.590129 0.5 ] [ 0.129179 0.5 0.5 ] [ 0.870821 0.5 0.5 ] [ 0.720891 0.655968 0.5 ] [ 0.279109 0.344032 0.5 ] [ 0.720891 0.344032 0.5 ] [ 0.279109 0.655968 0.5 ] [ 0.827483 0 0 ] [ 0.172517 0 0 ] [ 0.327483 0.5 0 ] [ 0.672517 0.5 0 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.51142590944 "source-unit" "angstrom" } "b" { "source-value" 9.62600871339 "source-unit" "angstrom" } "c" { "source-value" 3.78482587 "source-unit" "angstrom" } }