{ "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 0.093735 0.501609 ] [ 0 0.906265 0.001609 ] [ 0.5 0.593735 0.501609 ] [ 0.5 0.406265 0.001609 ] [ 0.5 0.930457 0.619506 ] [ 0.5 0.069543 0.119506 ] [ 0.5 0.201851 0.803885 ] [ 0.5 0.798149 0.303885 ] [ 0 0.430457 0.619506 ] [ 0 0.569543 0.119506 ] [ 0 0.701851 0.803885 ] [ 0 0.298149 0.303885 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.15860515531 "source-unit" "angstrom" } "b" { "source-value" 11.2490640738 "source-unit" "angstrom" } "c" { "source-value" 5.0106594 "source-unit" "angstrom" } }