{ "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" [ [ 0.5 0.885275 0.75 ] [ 0.5 0.114725 0.25 ] [ 0 0.385275 0.75 ] [ 0 0.614725 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.078145 0.75 ] [ 0.5 0.921855 0.25 ] [ 0 0.809685 0.052835 ] [ 0 0.190315 0.947165 ] [ 0 0.190315 0.552835 ] [ 0 0.809685 0.447165 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.578145 0.75 ] [ 0 0.421855 0.25 ] [ 0.5 0.309685 0.052835 ] [ 0.5 0.690315 0.947165 ] [ 0.5 0.690315 0.552835 ] [ 0.5 0.309685 0.447165 ] [ 0.5 0.225475 0.75 ] [ 0.5 0.774525 0.25 ] [ 0 0.725475 0.75 ] [ 0 0.274525 0.25 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.10044122119 "source-unit" "angstrom" } "b" { "source-value" 15.6755536803 "source-unit" "angstrom" } "c" { "source-value" 6.60899807 "source-unit" "angstrom" } }