{ "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" [ [ 0.25 0.135917 0.828305 ] [ 0.25 0.364083 0.328305 ] [ 0.75 0.635917 0.671695 ] [ 0.75 0.864083 0.171695 ] [ 0.25 0.114891 0.108718 ] [ 0.75 0.14022 0.355255 ] [ 0.75 0.35978 0.855255 ] [ 0.25 0.385109 0.608718 ] [ 0.75 0.614891 0.391282 ] [ 0.25 0.64022 0.144745 ] [ 0.25 0.85978 0.644745 ] [ 0.75 0.885109 0.891282 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "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" 3.48076023 "source-unit" "angstrom" } "b" { "source-value" 5.50550846 "source-unit" "angstrom" } "c" { "source-value" 7.7597935 "source-unit" "angstrom" } }