{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0 0.75 0.369725 ] [ 0.5 0.75 0.130275 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.25 0.869725 ] [ 0 0.25 0.630275 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.49418 0.263434 ] [ 0.5 0.00582 0.263434 ] [ 0.265168 0.25 0.501756 ] [ 0.734832 0.25 0.501756 ] [ 0.265168 0.75 0.498244 ] [ 0.734832 0.75 0.498244 ] [ 0 0.49418 0.236566 ] [ 0 0.00582 0.236566 ] [ 0 0.99418 0.763434 ] [ 0 0.50582 0.763434 ] [ 0.765168 0.75 0.001756 ] [ 0.234832 0.75 0.001756 ] [ 0.765168 0.25 0.998244 ] [ 0.234832 0.25 0.998244 ] [ 0.5 0.99418 0.736566 ] [ 0.5 0.50582 0.736566 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "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" 6.00673016767 "source-unit" "angstrom" } "b" { "source-value" 6.00982534 "source-unit" "angstrom" } "c" { "source-value" 8.58763061331 "source-unit" "angstrom" } }