{ "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" [ [ 0.498034 0.111499 0.766121 ] [ 0.001966 0.611499 0.233879 ] [ 0.501966 0.888501 0.233879 ] [ 0.998034 0.388501 0.766121 ] [ 0.193133 0.152445 0.443023 ] [ 0.306867 0.652445 0.556977 ] [ 0.806867 0.847555 0.556977 ] [ 0.693133 0.347555 0.443023 ] [ 0.871325 0.077995 0.072897 ] [ 0.628675 0.577995 0.927103 ] [ 0.128675 0.922005 0.927103 ] [ 0.371325 0.422005 0.072897 ] [ 0.67231 0.331198 0.146924 ] [ 0.82769 0.831198 0.853076 ] [ 0.32769 0.668802 0.853076 ] [ 0.17231 0.168802 0.146924 ] [ 0.894932 0.098508 0.371358 ] [ 0.605068 0.598508 0.628642 ] [ 0.105068 0.901492 0.628642 ] [ 0.394932 0.401492 0.371358 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.32960834077 "source-unit" "angstrom" } "b" { "source-value" 6.61276892 "source-unit" "angstrom" } "c" { "source-value" 8.61411944921 "source-unit" "angstrom" } "beta" { "source-value" 96.2636799629 "source-unit" "degree" } }