{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmme" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.5 0.25 0.660089 ] [ 0 0.25 0.339911 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0 0.75 0.660089 ] [ 0.5 0.75 0.339911 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0.5 0.25 0.179936 ] [ 0 0.25 0.820064 ] [ 0 0.75 0.179936 ] [ 0.5 0.75 0.820064 ] [ 0 0.100278 0.669903 ] [ 0.5 0.100278 0.330097 ] [ 0.5 0.399722 0.330097 ] [ 0 0.399722 0.669903 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0.600278 0.669903 ] [ 0 0.600278 0.330097 ] [ 0 0.899722 0.330097 ] [ 0.5 0.899722 0.669903 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" 6.10324946 "source-unit" "angstrom" } "b" { "source-value" 10.68223102 "source-unit" "angstrom" } "c" { "source-value" 6.66369824 "source-unit" "angstrom" } }