{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4bm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.512411 ] [ 0 0 0.512411 ] [ 0.5 0.5 0.004752 ] [ 0 0 0.004752 ] [ 0 0.5 0.783983 ] [ 0.5 0 0.783983 ] [ 0.5 0 0.263876 ] [ 0 0.5 0.263876 ] [ 0.344847 0.155153 0.176127 ] [ 0.155153 0.655153 0.176127 ] [ 0 0.5 0.446071 ] [ 0.5 0 0.446071 ] [ 0.844847 0.344847 0.176127 ] [ 0.655153 0.844847 0.176127 ] [ 0.252416 0.752416 0.799026 ] [ 0.247584 0.252416 0.799026 ] [ 0.752416 0.747584 0.799026 ] [ 0.747584 0.247584 0.799026 ] ] } "species" { "source-value" [ "Ba" "Ba" "Nd" "Nd" "Cu" "Cu" "B" "B" "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" 5.5549275 "source-unit" "angstrom" } "c" { "source-value" 7.65796177 "source-unit" "angstrom" } }