{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.324481 0 ] [ 0 0.675519 0.5 ] [ 0 0.675519 0 ] [ 0 0.324481 0.5 ] [ 0.131131 0 0.600433 ] [ 0.868869 0 0.100433 ] [ 0.131131 0 0.899567 ] [ 0.868869 0 0.399567 ] [ 0.208677 0.179993 0.25 ] [ 0.791323 0.820007 0.75 ] [ 0.208677 0.820007 0.25 ] [ 0.791323 0.179993 0.75 ] [ 0.5 0.824481 0 ] [ 0.5 0.175519 0.5 ] [ 0.5 0.175519 0 ] [ 0.5 0.824481 0.5 ] [ 0.631131 0.5 0.600433 ] [ 0.368869 0.5 0.100433 ] [ 0.631131 0.5 0.899567 ] [ 0.368869 0.5 0.399567 ] [ 0.708677 0.679993 0.25 ] [ 0.291323 0.320007 0.75 ] [ 0.708677 0.320007 0.25 ] [ 0.291323 0.679993 0.75 ] [ 0.544194 0 0.25 ] [ 0.455806 0 0.75 ] [ 0.044194 0.5 0.25 ] [ 0.955806 0.5 0.75 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" 6.62498348613 "source-unit" "angstrom" } "b" { "source-value" 7.63937731643 "source-unit" "angstrom" } "c" { "source-value" 9.05959594 "source-unit" "angstrom" } }