{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.057692 0.75 0.10522 ] [ 0.057692 0.25 0.39478 ] [ 0.942308 0.25 0.89478 ] [ 0.942308 0.75 0.60522 ] [ 0.482326 0.75 0.838797 ] [ 0.482326 0.25 0.661203 ] [ 0.517674 0.25 0.161203 ] [ 0.517674 0.75 0.338797 ] [ 0.381944 0.75 0.476262 ] [ 0.381944 0.25 0.023738 ] [ 0.618056 0.25 0.523738 ] [ 0.618056 0.75 0.976262 ] [ 0.829717 0.75 0.352734 ] [ 0.829717 0.25 0.147266 ] [ 0.170283 0.25 0.647266 ] [ 0.170283 0.75 0.852734 ] [ 0.5903 0 0.75 ] [ 0.4097 0.5 0.25 ] [ 0.4097 0 0.25 ] [ 0.5903 0.5 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "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" 5.37268036 "source-unit" "angstrom" } "b" { "source-value" 5.78657077 "source-unit" "angstrom" } "c" { "source-value" 10.91278431 "source-unit" "angstrom" } }