{ "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 0.981408 0.75 ] [ 0 0.018592 0.25 ] [ 0.5 0.481408 0.75 ] [ 0.5 0.518592 0.25 ] [ 0.5 0.131656 0.25 ] [ 0.5 0.868344 0.75 ] [ 0 0.631656 0.25 ] [ 0 0.368344 0.75 ] [ 0.313473 0.941944 0.260199 ] [ 0.874987 0.819773 0.936436 ] [ 0.874987 0.180227 0.436436 ] [ 0.686527 0.941944 0.239801 ] [ 0.313473 0.058056 0.760199 ] [ 0.125013 0.819773 0.563564 ] [ 0.125013 0.180227 0.063564 ] [ 0.686527 0.058056 0.739801 ] [ 0.813473 0.441944 0.260199 ] [ 0.374987 0.319773 0.936436 ] [ 0.374987 0.680227 0.436436 ] [ 0.186527 0.441944 0.239801 ] [ 0.813473 0.558056 0.760199 ] [ 0.625013 0.319773 0.563564 ] [ 0.625013 0.680227 0.063564 ] [ 0.186527 0.558056 0.739801 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sr" "Sr" "Sr" "Sr" "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" 10.88830005 "source-unit" "angstrom" } "b" { "source-value" 15.0086373 "source-unit" "angstrom" } "c" { "source-value" 8.51340743 "source-unit" "angstrom" } "beta" { "source-value" 127.89551872 "source-unit" "degree" } }