{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.231056 0.75 0.589496 ] [ 0.731056 0.75 0.910504 ] [ 0.768944 0.25 0.410504 ] [ 0.268944 0.25 0.089496 ] [ 0.686064 0.25 0.673424 ] [ 0.186064 0.25 0.826576 ] [ 0.313936 0.75 0.326576 ] [ 0.813936 0.75 0.173424 ] [ 0.340374 0.25 0.711556 ] [ 0.840374 0.25 0.788444 ] [ 0.659626 0.75 0.288444 ] [ 0.159626 0.75 0.211556 ] [ 0.258029 0.532125 0.382656 ] [ 0.758029 0.967875 0.117344 ] [ 0.741971 0.032125 0.617344 ] [ 0.241971 0.467875 0.882656 ] [ 0.758029 0.532125 0.117344 ] [ 0.258029 0.967875 0.382656 ] [ 0.241971 0.032125 0.882656 ] [ 0.741971 0.467875 0.617344 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "P" "P" "P" "P" "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" 4.50450679 "source-unit" "angstrom" } "b" { "source-value" 5.93715273 "source-unit" "angstrom" } "c" { "source-value" 12.807044 "source-unit" "angstrom" } }