{ "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" [ [ 0.5 0.865208 0.75 ] [ 0.5 0.134792 0.25 ] [ 0 0.365208 0.75 ] [ 0 0.634792 0.25 ] [ 0 0.000004 0.75 ] [ 0 0.999996 0.25 ] [ 0.5 0.500004 0.75 ] [ 0.5 0.499996 0.25 ] [ 0.293951 0.062877 0.717786 ] [ 0.706049 0.937123 0.282214 ] [ 0.293951 0.937123 0.217786 ] [ 0.115323 0.827074 0.584362 ] [ 0.115323 0.172926 0.084362 ] [ 0.884677 0.827074 0.915638 ] [ 0.884677 0.172926 0.415638 ] [ 0.706049 0.062877 0.782214 ] [ 0.793951 0.562877 0.717786 ] [ 0.206049 0.437123 0.282214 ] [ 0.793951 0.437123 0.217786 ] [ 0.615323 0.327074 0.584362 ] [ 0.615323 0.672926 0.084362 ] [ 0.384677 0.327074 0.915638 ] [ 0.384677 0.672926 0.415638 ] [ 0.206049 0.562877 0.782214 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ce" "Ce" "Ce" "Ce" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.4868515337 "source-unit" "angstrom" } "b" { "source-value" 15.2677210177 "source-unit" "angstrom" } "c" { "source-value" 7.51540548258 "source-unit" "angstrom" } "beta" { "source-value" 122.604808401 "source-unit" "degree" } }