{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0.789441 0 ] [ 0.5 0.210559 0 ] [ 0 0.220301 0.167047 ] [ 0 0.779699 0.832953 ] [ 0 0.220301 0.832953 ] [ 0 0.779699 0.167047 ] [ 0.5 0 0.5 ] [ 0 0.289441 0.5 ] [ 0 0.710559 0.5 ] [ 0.5 0.720301 0.667047 ] [ 0.5 0.279699 0.332953 ] [ 0.5 0.720301 0.332953 ] [ 0.5 0.279699 0.667047 ] [ 0 0 0 ] [ 0.5 0.5 0.850405 ] [ 0.5 0.5 0.149595 ] [ 0.5 0 0.191106 ] [ 0.5 0 0.808894 ] [ 0.5 0.5 0.5 ] [ 0 0 0.350405 ] [ 0 0 0.649595 ] [ 0 0.5 0.691106 ] [ 0 0.5 0.308894 ] [ 0 0.208655 0 ] [ 0 0.791345 0 ] [ 0.5 0.708655 0.5 ] [ 0.5 0.291345 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "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" 6.14159392085 "source-unit" "angstrom" } "b" { "source-value" 9.79971657042 "source-unit" "angstrom" } "c" { "source-value" 17.7843755967 "source-unit" "angstrom" } }