{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbna" } "basis-atom-coordinates" { "source-value" [ [ 0.23549 0.25 0 ] [ 0.26451 0.75 0.5 ] [ 0.76451 0.75 0 ] [ 0.73549 0.25 0.5 ] [ 0.672079 0.375686 0.805984 ] [ 0.672079 0.124314 0.194016 ] [ 0.827921 0.875686 0.694016 ] [ 0.827921 0.624314 0.305984 ] [ 0.172079 0.124314 0.305984 ] [ 0.172079 0.375686 0.694016 ] [ 0.327921 0.624314 0.194016 ] [ 0.327921 0.875686 0.805984 ] [ 0.235908 0.59146 0.09028 ] [ 0.735908 0.90854 0.59028 ] [ 0.764092 0.09146 0.09028 ] [ 0.735908 0.59146 0.40972 ] [ 0.853875 0.353939 0.711562 ] [ 0.853875 0.146061 0.288438 ] [ 0.646125 0.853939 0.788438 ] [ 0.646125 0.646061 0.211562 ] [ 0.146125 0.646061 0.288438 ] [ 0.146125 0.853939 0.711562 ] [ 0.353875 0.146061 0.211562 ] [ 0.353875 0.353939 0.788438 ] [ 0.264092 0.09146 0.40972 ] [ 0.264092 0.40854 0.59028 ] [ 0.764092 0.40854 0.90972 ] [ 0.235908 0.90854 0.90972 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "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" 4.38473141 "source-unit" "angstrom" } "b" { "source-value" 6.75555013 "source-unit" "angstrom" } "c" { "source-value" 12.08202894 "source-unit" "angstrom" } }