{ "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 0 ] [ 0.5 0.5 0 ] [ 0.090599 0.306646 0.154838 ] [ 0.909401 0.306646 0.845162 ] [ 0.090599 0.693354 0.154838 ] [ 0.909401 0.693354 0.845162 ] [ 0.590599 0.806646 0.154838 ] [ 0.409401 0.806646 0.845162 ] [ 0.590599 0.193354 0.154838 ] [ 0.409401 0.193354 0.845162 ] [ 0.764836 0 0.41681 ] [ 0.235164 0 0.58319 ] [ 0.264836 0.5 0.41681 ] [ 0.735164 0.5 0.58319 ] [ 0 0.761391 0 ] [ 0 0.238609 0 ] [ 0.5 0.261391 0 ] [ 0.5 0.738609 0 ] ] } "species" { "source-value" [ "Co" "Co" "H" "H" "H" "H" "H" "H" "H" "H" "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" 7.50077699836 "source-unit" "angstrom" } "b" { "source-value" 8.54773865006 "source-unit" "angstrom" } "c" { "source-value" 3.60349419861 "source-unit" "angstrom" } "beta" { "source-value" 100.508018534 "source-unit" "degree" } }