{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.338046 0.585594 ] [ 0 0.661954 0.085594 ] [ 0 0.661954 0.414406 ] [ 0 0.338046 0.914406 ] [ 0.5 0.838046 0.585594 ] [ 0.5 0.161954 0.085594 ] [ 0.5 0.161954 0.414406 ] [ 0.5 0.838046 0.914406 ] [ 0 0.174665 0.25 ] [ 0.253937 0.912456 0.25 ] [ 0.746063 0.087544 0.75 ] [ 0 0 0 ] [ 0.746063 0.912456 0.25 ] [ 0.253937 0.087544 0.75 ] [ 0 0.825335 0.75 ] [ 0 0 0.5 ] [ 0.5 0.674665 0.25 ] [ 0.753937 0.412456 0.25 ] [ 0.246063 0.587544 0.75 ] [ 0.5 0.5 0 ] [ 0.246063 0.412456 0.25 ] [ 0.753937 0.587544 0.75 ] [ 0.5 0.325335 0.75 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.85732490621 "source-unit" "angstrom" } "b" { "source-value" 9.00594760714 "source-unit" "angstrom" } "c" { "source-value" 8.29665202 "source-unit" "angstrom" } }