{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.536314 0.247488 ] [ 0 0.536314 0.752512 ] [ 0.5 0.042494 0.752844 ] [ 0.5 0.042494 0.247156 ] [ 0 0.987004 0.5 ] [ 0.5 0.481263 0 ] [ 0 0.975877 0 ] [ 0.5 0.481242 0.5 ] [ 0.5 0.45051 0.748865 ] [ 0.5 0.45051 0.251135 ] [ 0 0.962653 0.752935 ] [ 0 0.962653 0.247065 ] [ 0.756291 0.715686 0.5 ] [ 0.243709 0.715686 0.5 ] [ 0.739431 0.214809 0.5 ] [ 0.260569 0.214809 0.5 ] [ 0.250047 0.200113 0 ] [ 0.749953 0.200113 0 ] [ 0.766922 0.726729 0 ] [ 0.233078 0.726729 0 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Fe" "Fe" "W" "W" "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" 5.56835459 "source-unit" "angstrom" } "b" { "source-value" 5.78324579 "source-unit" "angstrom" } "c" { "source-value" 7.96170296 "source-unit" "angstrom" } }