{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.851648 0.75 ] [ 0 0.648352 0.25 ] [ 0 0.351648 0.75 ] [ 0.5 0.148352 0.25 ] [ 0.58291 0.545072 0.134175 ] [ 0.91709 0.045072 0.365825 ] [ 0.91709 0.954928 0.865825 ] [ 0.58291 0.454928 0.634175 ] [ 0.08291 0.045072 0.134175 ] [ 0.41709 0.545072 0.365825 ] [ 0.41709 0.454928 0.865825 ] [ 0.08291 0.954928 0.634175 ] [ 0.357182 0.558035 0.677065 ] [ 0.642818 0.558035 0.822935 ] [ 0.142818 0.941965 0.322935 ] [ 0.857182 0.941965 0.177065 ] [ 0.647886 0.713166 0.149905 ] [ 0.852114 0.213166 0.350095 ] [ 0.852114 0.786834 0.850095 ] [ 0.647886 0.286834 0.649905 ] [ 0.857182 0.058035 0.677065 ] [ 0.142818 0.058035 0.822935 ] [ 0.642818 0.441965 0.322935 ] [ 0.357182 0.441965 0.177065 ] [ 0.147886 0.213166 0.149905 ] [ 0.352114 0.713166 0.350095 ] [ 0.352114 0.286834 0.850095 ] [ 0.147886 0.786834 0.649905 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "C" "C" "C" "C" "C" "C" "C" "C" "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" 13.9151210332 "source-unit" "angstrom" } "b" { "source-value" 5.79917950284 "source-unit" "angstrom" } "c" { "source-value" 8.96204171109 "source-unit" "angstrom" } "beta" { "source-value" 143.960631915 "source-unit" "degree" } }