{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.339312 0.75 ] [ 0.25 0.660688 0.25 ] [ 0.25 0.167524 0.996906 ] [ 0.75 0.832476 0.003094 ] [ 0.75 0.319321 0.25 ] [ 0.25 0.680679 0.75 ] [ 0.75 0.832476 0.496906 ] [ 0.25 0.167524 0.503094 ] ] } "species" { "source-value" [ "Ti" "Ti" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.30773768 "source-unit" "angstrom" } "b" { "source-value" 4.43013241 "source-unit" "angstrom" } "c" { "source-value" 5.42695334 "source-unit" "angstrom" } }