{ "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" [ [ 0.769354 0.645234 0.992989 ] [ 0.230646 0.354766 0.007011 ] [ 0.738831 0.59558 0.334876 ] [ 0.761169 0.09558 0.165124 ] [ 0.730646 0.145234 0.507011 ] [ 0.238831 0.90442 0.834876 ] [ 0.261169 0.40442 0.665124 ] [ 0.269354 0.854766 0.492989 ] [ 0.29803 0.853388 0.180109 ] [ 0.70197 0.146612 0.819891 ] [ 0.79803 0.646612 0.680109 ] [ 0.20197 0.353388 0.319891 ] [ 0.724897 0.963281 0.931085 ] [ 0.275103 0.036719 0.068915 ] [ 0.544405 0.898759 0.332236 ] [ 0.500918 0.687515 0.720179 ] [ 0.000918 0.812485 0.220179 ] [ 0.099399 0.165114 0.398602 ] [ 0.400601 0.665114 0.101398 ] [ 0.999082 0.187515 0.779821 ] [ 0.455595 0.101241 0.667764 ] [ 0.900601 0.834886 0.601398 ] [ 0.599399 0.334886 0.898602 ] [ 0.499082 0.312485 0.279821 ] [ 0.044405 0.601241 0.832236 ] [ 0.775103 0.463281 0.568915 ] [ 0.955595 0.398759 0.167764 ] [ 0.224897 0.536719 0.431085 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Co" "Co" "Co" "Co" "Cl" "Cl" "Cl" "Cl" "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" 6.88270057091 "source-unit" "angstrom" } "b" { "source-value" 9.70752371 "source-unit" "angstrom" } "c" { "source-value" 12.6898765876 "source-unit" "angstrom" } "beta" { "source-value" 104.234346199 "source-unit" "degree" } }