{ "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" [ [ 0.997961 0.75 0.727188 ] [ 0.002039 0.25 0.272812 ] [ 0.5 0.5 0.5 ] [ 0.502039 0.75 0.227188 ] [ 0.497961 0.25 0.772812 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.429269 0.25 0.089771 ] [ 0.070731 0.25 0.589771 ] [ 0.929269 0.75 0.410229 ] [ 0.570731 0.75 0.910229 ] [ 0.271492 0.508181 0.663284 ] [ 0.228508 0.991819 0.163284 ] [ 0.278034 0.25 0.423091 ] [ 0.728508 0.008181 0.336716 ] [ 0.721966 0.75 0.576909 ] [ 0.221966 0.25 0.923091 ] [ 0.165708 0.75 0.911166 ] [ 0.334292 0.75 0.411166 ] [ 0.665708 0.25 0.588834 ] [ 0.834292 0.25 0.088834 ] [ 0.228508 0.508181 0.163284 ] [ 0.778034 0.75 0.076909 ] [ 0.771492 0.491819 0.836716 ] [ 0.271492 0.991819 0.663284 ] [ 0.728508 0.491819 0.336716 ] [ 0.771492 0.008181 0.836716 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ge" "Ge" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.18307948 "source-unit" "angstrom" } "b" { "source-value" 7.3441349 "source-unit" "angstrom" } "c" { "source-value" 12.55808592 "source-unit" "angstrom" } }