{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.856957 0.237191 ] [ 0.5 0.143043 0.737191 ] [ 0 0.356957 0.237191 ] [ 0 0.643043 0.737191 ] [ 0 0.039016 0.101659 ] [ 0 0.960984 0.601659 ] [ 0.5 0.539016 0.101659 ] [ 0.5 0.460984 0.601659 ] [ 0 0.110197 0.255735 ] [ 0 0.889803 0.755735 ] [ 0.5 0.610197 0.255735 ] [ 0.5 0.389803 0.755735 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "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" 4.01334408 "source-unit" "angstrom" } "b" { "source-value" 10.89577998 "source-unit" "angstrom" } "c" { "source-value" 3.93668325 "source-unit" "angstrom" } }