{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.551208 0.75 0.904491 ] [ 0.948792 0.75 0.404491 ] [ 0.051208 0.25 0.595509 ] [ 0.510955 0.25 0.779135 ] [ 0.5 0 0.5 ] [ 0.489045 0.75 0.220865 ] [ 0.448792 0.25 0.095509 ] [ 0 0 0 ] [ 0.010955 0.75 0.720865 ] [ 0.989045 0.25 0.279135 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.678941 0.25 0.594613 ] [ 0.758922 0.504279 0.337562 ] [ 0.741078 0.504279 0.837562 ] [ 0.257084 0.25 0.931414 ] [ 0.742916 0.75 0.068586 ] [ 0.758922 0.995721 0.337562 ] [ 0.242916 0.25 0.431414 ] [ 0.741078 0.995721 0.837562 ] [ 0.258922 0.004279 0.162438 ] [ 0.757084 0.75 0.568586 ] [ 0.821059 0.25 0.094613 ] [ 0.178941 0.75 0.905387 ] [ 0.258922 0.495721 0.162438 ] [ 0.321059 0.75 0.405387 ] [ 0.241078 0.004279 0.662438 ] [ 0.241078 0.495721 0.662438 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.89655459 "source-unit" "angstrom" } "b" { "source-value" 5.9539646 "source-unit" "angstrom" } "c" { "source-value" 10.10816688 "source-unit" "angstrom" } }