{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.146318 0 ] [ 0 0.853682 0 ] [ 0.5 0.646318 0 ] [ 0.5 0.353682 0 ] [ 0.768153 0 0.750877 ] [ 0.231847 0 0.249123 ] [ 0.737325 0.829573 0.198532 ] [ 0.262675 0.829573 0.801468 ] [ 0.262675 0.170427 0.801468 ] [ 0.737325 0.170427 0.198532 ] [ 0.268153 0.5 0.750877 ] [ 0.731847 0.5 0.249123 ] [ 0.237325 0.329573 0.198532 ] [ 0.762675 0.329573 0.801468 ] [ 0.762675 0.670427 0.801468 ] [ 0.237325 0.670427 0.198532 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.28235578465 "source-unit" "angstrom" } "b" { "source-value" 10.0361105297 "source-unit" "angstrom" } "c" { "source-value" 6.95977984013 "source-unit" "angstrom" } "beta" { "source-value" 107.536866695 "source-unit" "degree" } }