{ "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" [ [ 0.606809 0.681978 0.514131 ] [ 0.893191 0.681978 0.514131 ] [ 0.606809 0.818022 0.014131 ] [ 0.893191 0.818022 0.014131 ] [ 0.393191 0.318022 0.485869 ] [ 0.106809 0.318022 0.485869 ] [ 0.106809 0.181978 0.985869 ] [ 0.393191 0.181978 0.985869 ] [ 0.995063 0.628641 0.21371 ] [ 0.504937 0.871359 0.71371 ] [ 0.495063 0.371359 0.78629 ] [ 0.004937 0.128641 0.28629 ] [ 0.004937 0.371359 0.78629 ] [ 0.495063 0.128641 0.28629 ] [ 0.504937 0.628641 0.21371 ] [ 0.995063 0.871359 0.71371 ] [ 0.25 0.183734 0.910796 ] [ 0.25 0.316266 0.410796 ] [ 0.75 0.816266 0.089204 ] [ 0.75 0.683734 0.589204 ] [ 0.25 0.50844 0.333676 ] [ 0.25 0.99156 0.833676 ] [ 0.75 0.49156 0.666324 ] [ 0.75 0.00844 0.166324 ] [ 0.25 0.656715 0.423942 ] [ 0.25 0.843285 0.923942 ] [ 0.75 0.343285 0.576058 ] [ 0.75 0.156715 0.076058 ] [ 0.045875 0.493429 0.226501 ] [ 0.454125 0.006571 0.726501 ] [ 0.545875 0.506571 0.773499 ] [ 0.954125 0.993429 0.273499 ] [ 0.954125 0.506571 0.773499 ] [ 0.545875 0.993429 0.273499 ] [ 0.454125 0.493429 0.226501 ] [ 0.045875 0.006571 0.726501 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "N" "N" "N" "N" "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" 5.79609692 "source-unit" "angstrom" } "b" { "source-value" 6.94978709 "source-unit" "angstrom" } "c" { "source-value" 8.16997084 "source-unit" "angstrom" } }