{ "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 0.998253 0.194924 ] [ 0.25 0.001747 0.805076 ] [ 0.75 0.498253 0.305076 ] [ 0.25 0.501747 0.694924 ] [ 0.25 0.67854 0.085726 ] [ 0.75 0.32146 0.914274 ] [ 0.25 0.17854 0.414274 ] [ 0.75 0.82146 0.585726 ] [ 0.25 0.790235 0.405992 ] [ 0.75 0.209765 0.594008 ] [ 0.25 0.290235 0.094008 ] [ 0.75 0.709765 0.905992 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Ni" "Ni" "Ni" "Ni" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.19403772 "source-unit" "angstrom" } "b" { "source-value" 6.77745329 "source-unit" "angstrom" } "c" { "source-value" 7.64672575 "source-unit" "angstrom" } }