{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.504117 0.441441 0.104212 ] [ 0.495883 0.941441 0.395788 ] [ 0.995883 0.558559 0.604212 ] [ 0.004117 0.058559 0.895788 ] [ 0.018635 0.939989 0.173128 ] [ 0.981365 0.439989 0.326872 ] [ 0.481365 0.060011 0.673128 ] [ 0.518635 0.560011 0.826872 ] [ 0.968583 0.592732 0.112749 ] [ 0.86763 0.108333 0.05704 ] [ 0.361225 0.92776 0.099729 ] [ 0.758479 0.212351 0.233417 ] [ 0.240995 0.23473 0.236306 ] [ 0.759005 0.73473 0.263694 ] [ 0.241521 0.712351 0.266583 ] [ 0.638775 0.42776 0.400271 ] [ 0.13237 0.608333 0.44296 ] [ 0.031417 0.092732 0.387251 ] [ 0.531417 0.407268 0.612749 ] [ 0.63237 0.891667 0.55704 ] [ 0.138775 0.07224 0.599729 ] [ 0.741521 0.787649 0.733417 ] [ 0.259005 0.76527 0.736306 ] [ 0.740995 0.26527 0.763694 ] [ 0.258479 0.287649 0.766583 ] [ 0.861225 0.57224 0.900271 ] [ 0.36763 0.391667 0.94296 ] [ 0.468583 0.907268 0.887251 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Y" "Y" "Y" "Y" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.45959975 "source-unit" "angstrom" } "b" { "source-value" 5.62668206 "source-unit" "angstrom" } "c" { "source-value" 15.50201871 "source-unit" "angstrom" } }