{ "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" [ [ 0.372209 0.25 0.254742 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.165878 0.25 0.77786 ] [ 0.834122 0.75 0.22214 ] [ 0.627791 0.75 0.745258 ] [ 0.429223 0.75 0.269591 ] [ 0.850735 0.25 0.289635 ] [ 0.149265 0.75 0.710365 ] [ 0.570777 0.25 0.730409 ] [ 0.139585 0.25 0.008548 ] [ 0.300133 0.564846 0.224492 ] [ 0.300133 0.935154 0.224492 ] [ 0.580427 0.75 0.472676 ] [ 0.637562 0.25 0.253939 ] [ 0.542511 0.75 0.157709 ] [ 0.105334 0.935179 0.793903 ] [ 0.105334 0.564821 0.793903 ] [ 0.97928 0.25 0.497152 ] [ 0.02072 0.75 0.502848 ] [ 0.894666 0.064821 0.206097 ] [ 0.894666 0.435179 0.206097 ] [ 0.457489 0.25 0.842291 ] [ 0.362438 0.75 0.746061 ] [ 0.419573 0.25 0.527324 ] [ 0.699867 0.064846 0.775508 ] [ 0.699867 0.435154 0.775508 ] [ 0.860415 0.75 0.991452 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "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" 9.06940889 "source-unit" "angstrom" } "b" { "source-value" 8.11717601 "source-unit" "angstrom" } "c" { "source-value" 9.66953908 "source-unit" "angstrom" } "beta" { "source-value" 117.15009447 "source-unit" "degree" } }