{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.070059 0 0.322577 ] [ 0.929941 0 0.822577 ] [ 0.570059 0.5 0.322577 ] [ 0.429941 0.5 0.822577 ] [ 0.227645 0 0.507423 ] [ 0.772355 0 0.007423 ] [ 0.727645 0.5 0.507423 ] [ 0.272355 0.5 0.007423 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.25715766 "source-unit" "angstrom" } "b" { "source-value" 6.65717334 "source-unit" "angstrom" } "c" { "source-value" 5.45838832 "source-unit" "angstrom" } }