{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0 0.885897 0.583732 ] [ 0.5 0.114103 0.083732 ] [ 0.5 0.885897 0.916268 ] [ 0 0.114103 0.416268 ] [ 0.5 0.385897 0.583732 ] [ 0 0.614103 0.083732 ] [ 0 0.385897 0.916268 ] [ 0.5 0.614103 0.416268 ] [ 0.25 0.21607 0.75 ] [ 0 0 0 ] [ 0.75 0.21607 0.75 ] [ 0.5 0 0.5 ] [ 0.75 0.78393 0.25 ] [ 0.25 0.78393 0.25 ] [ 0.75 0.71607 0.75 ] [ 0.5 0.5 0 ] [ 0.25 0.71607 0.75 ] [ 0 0.5 0.5 ] [ 0.25 0.28393 0.25 ] [ 0.75 0.28393 0.25 ] [ 0.75 0.048816 0.75 ] [ 0.25 0.048816 0.75 ] [ 0.25 0.951184 0.25 ] [ 0.5 0.812578 0.550029 ] [ 0.75 0.951184 0.25 ] [ 0 0.187422 0.050029 ] [ 0 0.812578 0.949971 ] [ 0.5 0.187422 0.449971 ] [ 0.25 0.548816 0.75 ] [ 0.75 0.548816 0.75 ] [ 0.75 0.451184 0.25 ] [ 0 0.312578 0.550029 ] [ 0.25 0.451184 0.25 ] [ 0.5 0.687422 0.050029 ] [ 0.5 0.312578 0.949971 ] [ 0 0.687422 0.449971 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.20435231 "source-unit" "angstrom" } "b" { "source-value" 15.26164609 "source-unit" "angstrom" } "c" { "source-value" 8.04606003 "source-unit" "angstrom" } }