{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.995944 0 ] [ 0.5 0.495944 0 ] [ 0.5 0.055003 0.5 ] [ 0.307644 0.760324 0.5 ] [ 0.692356 0.760324 0.5 ] [ 0 0.555003 0.5 ] [ 0.807644 0.260324 0.5 ] [ 0.192356 0.260324 0.5 ] [ 0.5 0.176472 0.5 ] [ 0.5 0.832959 0.5 ] [ 0 0.676472 0.5 ] [ 0 0.332959 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "H" "H" "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" 4.43624741051 "source-unit" "angstrom" } "b" { "source-value" 8.13017366088 "source-unit" "angstrom" } "c" { "source-value" 4.42664541 "source-unit" "angstrom" } }