{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.992338 0.041245 0.25 ] [ 0.492338 0.458755 0.75 ] [ 0.507662 0.541245 0.25 ] [ 0.007662 0.958755 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.92674 0.516863 0.75 ] [ 0.42674 0.983137 0.25 ] [ 0.57326 0.016863 0.75 ] [ 0.07326 0.483137 0.25 ] [ 0.710768 0.288609 0.461687 ] [ 0.210768 0.211391 0.538313 ] [ 0.789232 0.788609 0.038313 ] [ 0.289232 0.711391 0.961687 ] [ 0.710768 0.288609 0.038313 ] [ 0.210768 0.211391 0.961687 ] [ 0.789232 0.788609 0.461687 ] [ 0.289232 0.711391 0.538313 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "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" 5.3903044 "source-unit" "angstrom" } "b" { "source-value" 5.44102275 "source-unit" "angstrom" } "c" { "source-value" 7.64207322 "source-unit" "angstrom" } }