{ "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" [ [ 0.25 0.229462 0.146857 ] [ 0.75 0.770538 0.853143 ] [ 0.25 0.729462 0.353143 ] [ 0.75 0.270538 0.646857 ] [ 0.25 0.107143 0.40657 ] [ 0.75 0.892857 0.59343 ] [ 0.25 0.607143 0.09343 ] [ 0.75 0.392857 0.90657 ] [ 0.25 0.069676 0.875392 ] [ 0.75 0.930324 0.124608 ] [ 0.25 0.569676 0.624608 ] [ 0.75 0.430324 0.375392 ] [ 0.25 0.897153 0.471297 ] [ 0.75 0.102847 0.528703 ] [ 0.25 0.397153 0.028703 ] [ 0.75 0.602847 0.971297 ] [ 0.25 0.50627 0.274538 ] [ 0.75 0.49373 0.725462 ] [ 0.25 0.00627 0.225462 ] [ 0.75 0.99373 0.774538 ] [ 0.25 0.356853 0.517999 ] [ 0.75 0.643147 0.482001 ] [ 0.25 0.856853 0.982001 ] [ 0.75 0.143147 0.017999 ] [ 0.75 0.23694 0.285359 ] [ 0.25 0.76306 0.714641 ] [ 0.75 0.73694 0.214641 ] [ 0.25 0.26306 0.785359 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.30168681 "source-unit" "angstrom" } "b" { "source-value" 9.90464898 "source-unit" "angstrom" } "c" { "source-value" 10.90065386 "source-unit" "angstrom" } }