{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.010356 0.249313 0.607729 ] [ 0.510356 0.750687 0.607729 ] [ 0.489644 0.249313 0.392271 ] [ 0.989644 0.750687 0.392271 ] [ 0.353084 0.887043 0.272837 ] [ 0.879269 0.610788 0.728198 ] [ 0.853084 0.112957 0.272837 ] [ 0.379269 0.389212 0.728198 ] [ 0.646916 0.112957 0.727163 ] [ 0.146916 0.887043 0.727163 ] [ 0.620731 0.610788 0.271802 ] [ 0.120731 0.389212 0.271802 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.75574021 "source-unit" "angstrom" } "b" { "source-value" 5.67364274 "source-unit" "angstrom" } "c" { "source-value" 6.41914259 "source-unit" "angstrom" } "beta" { "source-value" 92.17737638 "source-unit" "degree" } }