{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.99963 0.563248 0.25 ] [ 0.00037 0.436752 0.75 ] [ 0.50037 0.063248 0.75 ] [ 0.49963 0.936752 0.25 ] [ 0.387294 0.586105 0.25 ] [ 0.110384 0.607484 0.558432 ] [ 0.610384 0.892516 0.941568 ] [ 0.389616 0.107484 0.441568 ] [ 0.389616 0.107484 0.058432 ] [ 0.889616 0.392516 0.441568 ] [ 0.110384 0.607484 0.941568 ] [ 0.610384 0.892516 0.558432 ] [ 0.887294 0.913895 0.25 ] [ 0.112706 0.086105 0.75 ] [ 0.612706 0.413895 0.75 ] [ 0.889616 0.392516 0.058432 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.89959019 "source-unit" "angstrom" } "b" { "source-value" 6.14251388 "source-unit" "angstrom" } "c" { "source-value" 9.90648908 "source-unit" "angstrom" } }