{ "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" [ [ 0.347259 0.137999 0.136572 ] [ 0.152741 0.637999 0.863428 ] [ 0.906358 0.133771 0.606272 ] [ 0.593642 0.633771 0.393728 ] [ 0.652741 0.862001 0.863428 ] [ 0.847259 0.362001 0.136572 ] [ 0.093642 0.866229 0.393728 ] [ 0.406358 0.366229 0.606272 ] [ 0.342978 0.399776 0.099363 ] [ 0.157022 0.899776 0.900637 ] [ 0.908597 0.397209 0.644464 ] [ 0.591403 0.897209 0.355536 ] [ 0.657022 0.600224 0.900637 ] [ 0.842978 0.100224 0.099363 ] [ 0.091403 0.602791 0.355536 ] [ 0.408597 0.102791 0.644464 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.60568958543 "source-unit" "angstrom" } "b" { "source-value" 10.6313804 "source-unit" "angstrom" } "c" { "source-value" 5.61620257558 "source-unit" "angstrom" } "beta" { "source-value" 98.7014000169 "source-unit" "degree" } }