{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.139983 0.981111 0.434803 ] [ 0.860017 0.981111 0.565197 ] [ 0.210146 0.495001 0.139317 ] [ 0.789854 0.495001 0.860683 ] [ 0.639983 0.481111 0.434803 ] [ 0.360017 0.481111 0.565197 ] [ 0.710146 0.995001 0.139317 ] [ 0.289854 0.995001 0.860683 ] [ 0.074515 0.508821 0.717714 ] [ 0.925485 0.508821 0.282286 ] [ 0.574515 0.008821 0.717714 ] [ 0.425485 0.008821 0.282286 ] [ 0 0.999877 0 ] [ 0.5 0.499877 0 ] [ 0.215082 0.727192 0.649186 ] [ 0.138324 0.250058 0.914372 ] [ 0.936843 0.741692 0.786724 ] [ 0 0.268572 0.5 ] [ 0.063157 0.741692 0.213276 ] [ 0.784918 0.727192 0.350814 ] [ 0.861676 0.250058 0.085628 ] [ 0.715082 0.227192 0.649186 ] [ 0.638324 0.750058 0.914372 ] [ 0.436843 0.241692 0.786724 ] [ 0.5 0.768572 0.5 ] [ 0.563157 0.241692 0.213276 ] [ 0.284918 0.227192 0.350814 ] [ 0.361676 0.750058 0.085628 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "Ni" "Ni" "S" "S" "S" "S" "S" "S" "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" 11.5413850918 "source-unit" "angstrom" } "b" { "source-value" 5.28272156951 "source-unit" "angstrom" } "c" { "source-value" 8.17813920867 "source-unit" "angstrom" } "beta" { "source-value" 98.7221743092 "source-unit" "degree" } }