{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.618144 0.75 0.75 ] [ 0.381856 0.25 0.25 ] [ 0.837476 0.75 0.086211 ] [ 0.837476 0.75 0.413789 ] [ 0.162524 0.25 0.913789 ] [ 0.162524 0.25 0.586211 ] [ 0.109614 0.75 0.596879 ] [ 0.109614 0.75 0.903121 ] [ 0.890386 0.25 0.403121 ] [ 0.492319 0.75 0.25 ] [ 0.507681 0.25 0.75 ] [ 0.890386 0.25 0.096879 ] ] } "species" { "source-value" [ "Mg" "Mg" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.23389485 "source-unit" "angstrom" } "b" { "source-value" 4.0618588 "source-unit" "angstrom" } "c" { "source-value" 9.45428974 "source-unit" "angstrom" } }