{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.248397 0.352958 ] [ 0.25 0.751603 0.647042 ] [ 0.75 0.748397 0.147042 ] [ 0.25 0.251603 0.852958 ] [ 0.25 0.924098 0.387824 ] [ 0.75 0.075902 0.612176 ] [ 0.25 0.424098 0.112176 ] [ 0.75 0.575902 0.887824 ] [ 0.75 0.578923 0.38861 ] [ 0.25 0.421077 0.61139 ] [ 0.75 0.078923 0.11139 ] [ 0.25 0.921077 0.88861 ] [ 0.25 0.928951 0.076145 ] [ 0.75 0.071049 0.923855 ] [ 0.25 0.428951 0.423855 ] [ 0.75 0.571049 0.576145 ] [ 0.25 0.015307 0.717205 ] [ 0.75 0.984693 0.282795 ] [ 0.25 0.515307 0.782795 ] [ 0.75 0.484693 0.217205 ] [ 0.25 0.62156 0.018724 ] [ 0.75 0.37844 0.981276 ] [ 0.25 0.12156 0.481276 ] [ 0.75 0.87844 0.518724 ] [ 0.75 0.788573 0.830621 ] [ 0.25 0.211427 0.169379 ] [ 0.75 0.288573 0.669379 ] [ 0.25 0.711427 0.330621 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "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" 3.63368531 "source-unit" "angstrom" } "b" { "source-value" 10.74319049 "source-unit" "angstrom" } "c" { "source-value" 12.60408988 "source-unit" "angstrom" } }