{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.346544 0.925885 ] [ 0.25 0.653456 0.074115 ] [ 0.75 0.846544 0.574115 ] [ 0.25 0.153456 0.425885 ] [ 0.75 0.480171 0.322798 ] [ 0.25 0.519829 0.677202 ] [ 0.75 0.980171 0.177202 ] [ 0.25 0.019829 0.822798 ] [ 0.75 0.747667 0.894442 ] [ 0.25 0.252333 0.105558 ] [ 0.75 0.247667 0.605558 ] [ 0.25 0.752333 0.394442 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "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" 4.85545189 "source-unit" "angstrom" } "b" { "source-value" 7.67813806 "source-unit" "angstrom" } "c" { "source-value" 9.10063072 "source-unit" "angstrom" } }