{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.158996 0.75 ] [ 0.75 0.841004 0.25 ] [ 0.25 0.841004 0.25 ] [ 0.25 0.158996 0.75 ] [ 0.25 0.658996 0.75 ] [ 0.25 0.341004 0.25 ] [ 0.75 0.341004 0.25 ] [ 0.75 0.658996 0.75 ] [ 0 0.58688 0.430901 ] [ 0 0.91312 0.930901 ] [ 0 0.41312 0.569099 ] [ 0 0.08688 0.069099 ] [ 0.5 0.08688 0.430901 ] [ 0.5 0.41312 0.930901 ] [ 0.5 0.91312 0.569099 ] [ 0.5 0.58688 0.069099 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "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" 6.82656298623 "source-unit" "angstrom" } "b" { "source-value" 7.06348615734 "source-unit" "angstrom" } "c" { "source-value" 6.56505995 "source-unit" "angstrom" } }