{ "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" [ [ 0.5 0.750967 0.75 ] [ 0.5 0.249033 0.25 ] [ 0 0.250967 0.75 ] [ 0 0.749033 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.128225 0.546334 ] [ 0.5 0.871775 0.453666 ] [ 0.5 0.871775 0.046334 ] [ 0.5 0.128225 0.953666 ] [ 0 0.915876 0.75 ] [ 0 0.084124 0.25 ] [ 0 0.628225 0.546334 ] [ 0 0.371775 0.453666 ] [ 0 0.371775 0.046334 ] [ 0 0.628225 0.953666 ] [ 0.5 0.415876 0.75 ] [ 0.5 0.584124 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Pt" "Pt" "Pt" "Pt" "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" 3.19010103 "source-unit" "angstrom" } "b" { "source-value" 10.00257064 "source-unit" "angstrom" } "c" { "source-value" 7.44393627 "source-unit" "angstrom" } }