{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.862378 0.683399 ] [ 0.25 0.637622 0.183399 ] [ 0.75 0.137622 0.316601 ] [ 0.75 0.362378 0.816601 ] [ 0.25 0.365704 0.537655 ] [ 0.75 0.865704 0.962345 ] [ 0.25 0.134296 0.037655 ] [ 0.75 0.634296 0.462345 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.0355791 "source-unit" "angstrom" } "b" { "source-value" 6.52075459 "source-unit" "angstrom" } "c" { "source-value" 8.47825935 "source-unit" "angstrom" } }