{ "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 0.726644 0.373051 ] [ 0.75 0.273356 0.626949 ] [ 0.25 0.226644 0.126949 ] [ 0.75 0.773356 0.873051 ] [ 0.75 0.529591 0.164075 ] [ 0.25 0.470409 0.835925 ] [ 0.75 0.029591 0.335925 ] [ 0.25 0.970409 0.664075 ] [ 0.25 0.354638 0.429617 ] [ 0.75 0.645362 0.570383 ] [ 0.25 0.854638 0.070383 ] [ 0.75 0.145362 0.929617 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Se" "Se" "Se" "Se" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.07951815 "source-unit" "angstrom" } "b" { "source-value" 7.31692918 "source-unit" "angstrom" } "c" { "source-value" 8.66768761 "source-unit" "angstrom" } }