{ "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 0.127151 0.831632 ] [ 0.75 0.872849 0.168368 ] [ 0.25 0.372849 0.331632 ] [ 0.75 0.627151 0.668368 ] [ 0.75 0.624296 0.39124 ] [ 0.25 0.375704 0.60876 ] [ 0.25 0.632498 0.13023 ] [ 0.25 0.124296 0.10876 ] [ 0.25 0.867502 0.63023 ] [ 0.75 0.367502 0.86977 ] [ 0.75 0.875704 0.89124 ] [ 0.75 0.132498 0.36977 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.80176438 "source-unit" "angstrom" } "b" { "source-value" 7.90589413 "source-unit" "angstrom" } "c" { "source-value" 11.52625662 "source-unit" "angstrom" } }