{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.941462 0.25 ] [ 0 0.058538 0.75 ] [ 0.5 0.441462 0.25 ] [ 0.5 0.558538 0.75 ] [ 0.5 0.163765 0.060569 ] [ 0.5 0.163765 0.439431 ] [ 0.5 0.836235 0.939431 ] [ 0.5 0.836235 0.560569 ] [ 0 0.663765 0.060569 ] [ 0 0.663765 0.439431 ] [ 0 0.336235 0.939431 ] [ 0 0.336235 0.560569 ] [ 0 0.224651 0.25 ] [ 0 0.775349 0.75 ] [ 0.5 0.724651 0.25 ] [ 0.5 0.275349 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.89455142 "source-unit" "angstrom" } "b" { "source-value" 10.69323106 "source-unit" "angstrom" } "c" { "source-value" 6.79010108 "source-unit" "angstrom" } }