{ "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 0.001292 0.181776 ] [ 0.75 0.178757 0.494696 ] [ 0.75 0.321244 0.994696 ] [ 0.25 0.498708 0.681776 ] [ 0.75 0.501292 0.318224 ] [ 0.25 0.678756 0.005304 ] [ 0.25 0.821244 0.505304 ] [ 0.75 0.998708 0.818224 ] [ 0.25 0.055516 0.624331 ] [ 0.25 0.133017 0.952355 ] [ 0.25 0.366983 0.452355 ] [ 0.25 0.444484 0.124331 ] [ 0.75 0.555516 0.875669 ] [ 0.75 0.633017 0.547645 ] [ 0.75 0.866983 0.047645 ] [ 0.75 0.944484 0.375669 ] [ 0.75 0.190063 0.22627 ] [ 0.75 0.309937 0.72627 ] [ 0.25 0.690063 0.27373 ] [ 0.25 0.809937 0.77373 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "N" "N" "N" "N" "N" "N" "N" "N" "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" 3.15170104 "source-unit" "angstrom" } "b" { "source-value" 8.55525197 "source-unit" "angstrom" } "c" { "source-value" 8.60528798 "source-unit" "angstrom" } }