{ "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 0.559596 0.321536 ] [ 0.25 0.440404 0.678464 ] [ 0.75 0.059596 0.178464 ] [ 0.25 0.940404 0.821536 ] [ 0.75 0.830306 0.557392 ] [ 0.25 0.169694 0.442608 ] [ 0.75 0.330306 0.942608 ] [ 0.25 0.669694 0.057392 ] [ 0.75 0.980607 0.392249 ] [ 0.25 0.019393 0.607751 ] [ 0.75 0.480607 0.107751 ] [ 0.25 0.519393 0.892249 ] [ 0.75 0.839227 0.9867 ] [ 0.25 0.160773 0.0133 ] [ 0.75 0.339227 0.5133 ] [ 0.25 0.660773 0.4867 ] [ 0.75 0.710311 0.718969 ] [ 0.25 0.289689 0.281031 ] [ 0.75 0.210311 0.781031 ] [ 0.25 0.789689 0.218969 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Zr" "Zr" "Zr" "Zr" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.99299359 "source-unit" "angstrom" } "b" { "source-value" 9.0630531 "source-unit" "angstrom" } "c" { "source-value" 14.65583823 "source-unit" "angstrom" } }