{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.98615 0.25 0.284715 ] [ 0.01385 0.75 0.715285 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.454363 0.75 0.240659 ] [ 0.545637 0.25 0.759341 ] [ 0.622335 0.456736 0.88315 ] [ 0.377665 0.543264 0.11685 ] [ 0.312598 0.75 0.389222 ] [ 0.622335 0.043264 0.88315 ] [ 0.377665 0.956736 0.11685 ] [ 0.281985 0.25 0.701292 ] [ 0.687402 0.25 0.610778 ] [ 0.718015 0.75 0.298708 ] ] } "species" { "source-value" [ "Cs" "Cs" "H" "H" "S" "S" "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" 5.60325246745 "source-unit" "angstrom" } "b" { "source-value" 5.94645815 "source-unit" "angstrom" } "c" { "source-value" 7.29717512746 "source-unit" "angstrom" } "beta" { "source-value" 100.155987911 "source-unit" "degree" } }