{ "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" [ [ 0.966902 0 0.75 ] [ 0.033098 0 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.466902 0.5 0.75 ] [ 0.533098 0.5 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.330287 0 0.25 ] [ 0.669713 0 0.75 ] [ 0.830287 0.5 0.25 ] [ 0.169713 0.5 0.75 ] [ 0 0.202023 0 ] [ 0 0.202023 0.5 ] [ 0.284712 0 0.75 ] [ 0.715288 0 0.25 ] [ 0 0.797977 0 ] [ 0 0.797977 0.5 ] [ 0.5 0.702023 0 ] [ 0.5 0.702023 0.5 ] [ 0.784712 0.5 0.75 ] [ 0.215288 0.5 0.25 ] [ 0.5 0.297977 0 ] [ 0.5 0.297977 0.5 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.45650282 "source-unit" "angstrom" } "b" { "source-value" 6.76752988 "source-unit" "angstrom" } "c" { "source-value" 6.12752935 "source-unit" "angstrom" } }