{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.721651 0.431043 0.882049 ] [ 0.778349 0.931043 0.117951 ] [ 0.278349 0.568957 0.117951 ] [ 0.221651 0.068957 0.882049 ] [ 0.013958 0.719189 0.702295 ] [ 0.513958 0.780811 0.702295 ] [ 0.986042 0.280811 0.297705 ] [ 0.486042 0.219189 0.297705 ] [ 0.906456 0.165231 0.054444 ] [ 0.202576 0.767899 0.516696 ] [ 0.297424 0.267899 0.483304 ] [ 0.797424 0.232101 0.483304 ] [ 0.072924 0.520153 0.792644 ] [ 0.427076 0.020153 0.207356 ] [ 0.927076 0.479847 0.207356 ] [ 0.572924 0.979847 0.792644 ] [ 0.093544 0.834769 0.945556 ] [ 0.406456 0.334769 0.054444 ] [ 0.593544 0.665231 0.945556 ] [ 0.702576 0.732101 0.516696 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Ge" "Ge" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.91930181158 "source-unit" "angstrom" } "b" { "source-value" 10.64013181 "source-unit" "angstrom" } "c" { "source-value" 7.87961329361 "source-unit" "angstrom" } "beta" { "source-value" 105.373389408 "source-unit" "degree" } }