{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.946141 0.25 ] [ 0 0.053859 0.75 ] [ 0.5 0.446141 0.25 ] [ 0.5 0.553859 0.75 ] [ 0.5 0.835072 0.555523 ] [ 0.5 0.164928 0.444477 ] [ 0.5 0.835072 0.944477 ] [ 0.5 0.164928 0.055523 ] [ 0 0.335072 0.555523 ] [ 0 0.664928 0.444477 ] [ 0 0.335072 0.944477 ] [ 0 0.664928 0.055523 ] [ 0 0.779652 0.75 ] [ 0 0.220348 0.25 ] [ 0.5 0.279652 0.75 ] [ 0.5 0.720348 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "In" "In" "In" "In" "In" "In" "In" "In" "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" 4.46527676 "source-unit" "angstrom" } "b" { "source-value" 11.82388786 "source-unit" "angstrom" } "c" { "source-value" 8.18888739 "source-unit" "angstrom" } }