{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.689195 ] [ 0.5 0 0.310805 ] [ 0 0.5 0.189195 ] [ 0 0.5 0.810805 ] [ 0.5 0.5 0.5 ] [ 0.971509 0.765676 0.5 ] [ 0.471509 0.734324 0 ] [ 0.528491 0.265676 0 ] [ 0.028491 0.234324 0.5 ] [ 0.228034 0.810128 0.5 ] [ 0.341712 0.765494 0.117433 ] [ 0.341712 0.765494 0.882567 ] [ 0.841712 0.734506 0.617433 ] [ 0.841712 0.734506 0.382567 ] [ 0.728034 0.689872 0 ] [ 0.271966 0.310128 0 ] [ 0.158288 0.265494 0.382567 ] [ 0.158288 0.265494 0.617433 ] [ 0.658288 0.234506 0.882567 ] [ 0.658288 0.234506 0.117433 ] [ 0.771966 0.189872 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.27462218 "source-unit" "angstrom" } "b" { "source-value" 7.15440102 "source-unit" "angstrom" } "c" { "source-value" 10.30437163 "source-unit" "angstrom" } }