{ "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 0.379927 0.678145 ] [ 0.75 0.620073 0.321855 ] [ 0.75 0.879927 0.821855 ] [ 0.25 0.120073 0.178145 ] [ 0.25 0.881326 0.534234 ] [ 0.75 0.118674 0.465766 ] [ 0.75 0.381326 0.965766 ] [ 0.25 0.618674 0.034234 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.94861205 "source-unit" "angstrom" } "b" { "source-value" 3.99755395 "source-unit" "angstrom" } "c" { "source-value" 5.4081951 "source-unit" "angstrom" } }