{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.280143 0.870526 ] [ 0.5 0.719857 0.129474 ] [ 0 0.219857 0.370526 ] [ 0 0.780143 0.629474 ] ] } "species" { "source-value" [ "In" "In" "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" 3.33187943 "source-unit" "angstrom" } "b" { "source-value" 4.56920713 "source-unit" "angstrom" } "c" { "source-value" 5.36168771 "source-unit" "angstrom" } }