{ "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 0.932876 0.75 ] [ 0.5 0.067124 0.25 ] [ 0 0.432876 0.75 ] [ 0 0.567124 0.25 ] [ 0 0.145942 0.949267 ] [ 0 0.854058 0.050733 ] [ 0 0.854058 0.449267 ] [ 0 0.145942 0.550733 ] [ 0.5 0.645942 0.949267 ] [ 0.5 0.354058 0.050733 ] [ 0.5 0.354058 0.449267 ] [ 0.5 0.645942 0.550733 ] [ 0.5 0.210483 0.75 ] [ 0.5 0.789517 0.25 ] [ 0 0.710483 0.75 ] [ 0 0.289517 0.25 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "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" 4.0113175 "source-unit" "angstrom" } "b" { "source-value" 9.54485118 "source-unit" "angstrom" } "c" { "source-value" 6.68600099 "source-unit" "angstrom" } }