{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.332917 0 0.834378 ] [ 0.34841 0 0.330713 ] [ 0.664291 0 0.65719 ] [ 0.659343 0 0.178544 ] [ 0.002023 0 0.498499 ] [ 0.997386 0 0.003014 ] [ 0.832917 0.5 0.834378 ] [ 0.84841 0.5 0.330713 ] [ 0.164291 0.5 0.65719 ] [ 0.159343 0.5 0.178544 ] [ 0.502023 0.5 0.498499 ] [ 0.497386 0.5 0.003014 ] [ 0.558571 0 0.36203 ] [ 0.058571 0.5 0.36203 ] [ 0.833426 0.806702 0.330039 ] [ 0.165569 0.803057 0.66912 ] [ 0.428694 0 0.627921 ] [ 0.114504 0 0.302866 ] [ 0.762066 0 0.965693 ] [ 0.234483 0 0.039853 ] [ 0.89809 0 0.702876 ] [ 0.833426 0.193298 0.330039 ] [ 0.165569 0.196943 0.66912 ] [ 0.000615 0.698782 0.999052 ] [ 0.000615 0.301218 0.999052 ] [ 0.333426 0.306702 0.330039 ] [ 0.665569 0.303057 0.66912 ] [ 0.928694 0.5 0.627921 ] [ 0.614504 0.5 0.302866 ] [ 0.262066 0.5 0.965693 ] [ 0.734483 0.5 0.039853 ] [ 0.39809 0.5 0.702876 ] [ 0.333426 0.693298 0.330039 ] [ 0.665569 0.696943 0.66912 ] [ 0.500615 0.198782 0.999052 ] [ 0.500615 0.801218 0.999052 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.17694357 "source-unit" "angstrom" } "b" { "source-value" 6.79008905 "source-unit" "angstrom" } "c" { "source-value" 7.40956566 "source-unit" "angstrom" } "beta" { "source-value" 110.9066107 "source-unit" "degree" } }