{ "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" [ [ 0.743238 0.56475 0.740675 ] [ 0.743238 0.93525 0.240675 ] [ 0.256762 0.06475 0.759325 ] [ 0.256762 0.43525 0.259325 ] [ 0.751996 0.856516 0.853572 ] [ 0.248004 0.356516 0.646428 ] [ 0.232523 0.594359 0.561503 ] [ 0.750995 0.256297 0.682689 ] [ 0.496747 0.193268 0.434249 ] [ 0.250182 0.515806 0.899641 ] [ 0.749818 0.484194 0.100359 ] [ 0.503253 0.693268 0.065751 ] [ 0.496747 0.306732 0.934249 ] [ 0.749818 0.015806 0.600359 ] [ 0.007156 0.190223 0.437219 ] [ 0.248004 0.143484 0.146428 ] [ 0.232523 0.905641 0.061503 ] [ 0.767477 0.094359 0.938497 ] [ 0.751996 0.643484 0.353572 ] [ 0.250182 0.984194 0.399641 ] [ 0.249005 0.743703 0.317311 ] [ 0.503253 0.806732 0.565751 ] [ 0.992844 0.809777 0.562781 ] [ 0.750995 0.243703 0.182689 ] [ 0.767477 0.405641 0.438497 ] [ 0.007156 0.309777 0.937219 ] [ 0.992844 0.690223 0.062781 ] [ 0.249005 0.756297 0.817311 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.02701109595 "source-unit" "angstrom" } "b" { "source-value" 10.10434051 "source-unit" "angstrom" } "c" { "source-value" 8.06466104601 "source-unit" "angstrom" } "beta" { "source-value" 90.9858241801 "source-unit" "degree" } }