{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.75 0.036855 0.5 ] [ 0.75 0.463145 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.25 0.536855 0 ] [ 0.25 0.963145 0.5 ] [ 0.75 0.169542 0 ] [ 0.75 0.330458 0.5 ] [ 0.25 0.669542 0.5 ] [ 0.25 0.830458 0 ] [ 0.5 0 0.296844 ] [ 0 0 0.296844 ] [ 0.75 0.71737 0.5 ] [ 0.25 0.28263 0.5 ] [ 0 0 0.703156 ] [ 0.5 0 0.703156 ] [ 0 0.5 0.796844 ] [ 0.5 0.5 0.796844 ] [ 0.25 0.21737 0 ] [ 0.75 0.78263 0 ] [ 0.5 0.5 0.203156 ] [ 0 0.5 0.203156 ] ] } "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" 6.13107826 "source-unit" "angstrom" } "b" { "source-value" 6.50383744 "source-unit" "angstrom" } "c" { "source-value" 6.75028605 "source-unit" "angstrom" } }