{ "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 0.901116 0.75 ] [ 0 0.143502 0.929988 ] [ 0.5 0.098884 0.25 ] [ 0 0.856498 0.070012 ] [ 0 0.143502 0.570012 ] [ 0 0.856498 0.429988 ] [ 0 0.401116 0.75 ] [ 0.5 0.643502 0.929988 ] [ 0 0.598884 0.25 ] [ 0.5 0.356498 0.070012 ] [ 0.5 0.643502 0.570012 ] [ 0.5 0.356498 0.429988 ] [ 0 0.753971 0.75 ] [ 0 0.246029 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.253971 0.75 ] [ 0.5 0.746029 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.81550039 "source-unit" "angstrom" } "b" { "source-value" 9.22295736 "source-unit" "angstrom" } "c" { "source-value" 6.91668791 "source-unit" "angstrom" } }