{ "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" [ [ 0.5 0.194431 0.25 ] [ 0.5 0.805569 0.75 ] [ 0 0.694431 0.25 ] [ 0 0.305569 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.099262 0.75 ] [ 0.5 0.900738 0.25 ] [ 0 0.599262 0.75 ] [ 0 0.400738 0.25 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.01354074 "source-unit" "angstrom" } "b" { "source-value" 10.32472454 "source-unit" "angstrom" } "c" { "source-value" 5.71513551 "source-unit" "angstrom" } }