{ "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 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.998224 0.25 0.221065 ] [ 0.001776 0.75 0.778935 ] [ 0.501776 0.25 0.721065 ] [ 0.498224 0.75 0.278935 ] [ 0.56191 0.75 0.595824 ] [ 0.06191 0.25 0.904176 ] [ 0.43809 0.25 0.404176 ] [ 0.93809 0.75 0.095824 ] [ 0.786897 0.545853 0.170618 ] [ 0.213103 0.454147 0.829382 ] [ 0.286897 0.045853 0.329382 ] [ 0.738291 0.25 0.890264 ] [ 0.238291 0.75 0.609736 ] [ 0.261709 0.75 0.109736 ] [ 0.819273 0.75 0.955746 ] [ 0.680727 0.75 0.455746 ] [ 0.286897 0.454147 0.329382 ] [ 0.713103 0.545853 0.670618 ] [ 0.180727 0.25 0.044254 ] [ 0.786897 0.954147 0.170618 ] [ 0.319273 0.25 0.544254 ] [ 0.761709 0.25 0.390264 ] [ 0.713103 0.954147 0.670618 ] [ 0.213103 0.045853 0.829382 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sm" "Sm" "Sm" "Sm" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.38004984 "source-unit" "angstrom" } "b" { "source-value" 6.64449807 "source-unit" "angstrom" } "c" { "source-value" 11.73826303 "source-unit" "angstrom" } }