{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.006144 0.333656 ] [ 0.5 0.993856 0.666344 ] [ 0 0.493856 0.833656 ] [ 0 0.506144 0.166344 ] [ 0.5 0.157721 0.768623 ] [ 0 0.342279 0.268623 ] [ 0 0.657721 0.731377 ] [ 0.5 0.842279 0.231377 ] ] } "species" { "source-value" [ "V" "V" "H" "H" "H" "H" "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" 3.32437266 "source-unit" "angstrom" } "b" { "source-value" 4.92531372856 "source-unit" "angstrom" } "c" { "source-value" 5.41033391784 "source-unit" "angstrom" } }