{ "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" [ [ 0.236464 0.06253 0.830386 ] [ 0.263536 0.56253 0.169614 ] [ 0.763536 0.93747 0.169614 ] [ 0.736464 0.43747 0.830386 ] [ 0.261007 0.201298 0.63179 ] [ 0.238993 0.701298 0.36821 ] [ 0.738993 0.798702 0.36821 ] [ 0.761007 0.298702 0.63179 ] [ 0.095261 0.791544 0.751412 ] [ 0.404739 0.291544 0.248588 ] [ 0.904739 0.208456 0.248588 ] [ 0.595261 0.708456 0.751412 ] [ 0.133051 0.203866 0.899862 ] [ 0.366949 0.703866 0.100138 ] [ 0.866949 0.796134 0.100138 ] [ 0.633051 0.296134 0.899862 ] ] } "species" { "source-value" [ "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.27880026127 "source-unit" "angstrom" } "b" { "source-value" 6.18455481 "source-unit" "angstrom" } "c" { "source-value" 9.45008860626 "source-unit" "angstrom" } "beta" { "source-value" 99.1248371723 "source-unit" "degree" } }