{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.079648 0.479748 0.25 ] [ 0.203769 0.201184 0.542016 ] [ 0.203769 0.201184 0.957984 ] [ 0.296231 0.701184 0.542016 ] [ 0.296231 0.701184 0.957984 ] [ 0.420352 0.979748 0.25 ] [ 0.579648 0.020252 0.75 ] [ 0.703769 0.298816 0.042016 ] [ 0.703769 0.298816 0.457984 ] [ 0.796231 0.798816 0.042016 ] [ 0.796231 0.798816 0.457984 ] [ 0.920352 0.520252 0.75 ] [ 0.017309 0.947048 0.75 ] [ 0.482691 0.447048 0.75 ] [ 0.517309 0.552952 0.25 ] [ 0.982691 0.052952 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "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" 7.53670993 "source-unit" "angstrom" } "b" { "source-value" 7.82169961 "source-unit" "angstrom" } "c" { "source-value" 10.86420851 "source-unit" "angstrom" } }