{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.267711 0.862112 0.264471 ] [ 0.732289 0.862112 0.235529 ] [ 0.732289 0.137888 0.735529 ] [ 0.267711 0.137888 0.764471 ] [ 0.767711 0.362112 0.264471 ] [ 0.232289 0.362112 0.235529 ] [ 0.232289 0.637888 0.735529 ] [ 0.767711 0.637888 0.764471 ] [ 0 0.996916 0.25 ] [ 0.901742 0.639458 0.374038 ] [ 0.901742 0.360542 0.874038 ] [ 0.098258 0.360542 0.625962 ] [ 0 0.003084 0.75 ] [ 0.098258 0.639458 0.125962 ] [ 0.5 0.496916 0.25 ] [ 0.401742 0.139458 0.374038 ] [ 0.401742 0.860542 0.874038 ] [ 0.598258 0.860542 0.625962 ] [ 0.5 0.503084 0.75 ] [ 0.598258 0.139458 0.125962 ] [ 0 0.772958 0.75 ] [ 0 0.227042 0.25 ] [ 0 0.511772 0.75 ] [ 0 0.488228 0.25 ] [ 0 0.211986 0.75 ] [ 0 0.788014 0.25 ] [ 0.83413 0.902204 0.833172 ] [ 0.83413 0.097796 0.333172 ] [ 0.16587 0.097796 0.166828 ] [ 0.16587 0.902204 0.666828 ] [ 0.5 0.272958 0.75 ] [ 0.5 0.727042 0.25 ] [ 0.5 0.011772 0.75 ] [ 0.5 0.988228 0.25 ] [ 0.5 0.711986 0.75 ] [ 0.5 0.288014 0.25 ] [ 0.33413 0.402204 0.833172 ] [ 0.33413 0.597796 0.333172 ] [ 0.66587 0.597796 0.166828 ] [ 0.66587 0.402204 0.666828 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.6290379037 "source-unit" "angstrom" } "b" { "source-value" 11.3459103951 "source-unit" "angstrom" } "c" { "source-value" 5.4301182326 "source-unit" "angstrom" } "beta" { "source-value" 118.306513326 "source-unit" "degree" } }