{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0.75 0.858257 ] [ 0 0.25 0.141743 ] [ 0.5 0.75 0.372233 ] [ 0.5 0.25 0.627767 ] [ 0 0.577219 0.745921 ] [ 0 0.422781 0.254079 ] [ 0 0.922781 0.745921 ] [ 0 0.077219 0.254079 ] [ 0.701703 0.75 0.490605 ] [ 0.701703 0.25 0.509395 ] [ 0.298297 0.25 0.509395 ] [ 0.298297 0.75 0.490605 ] [ 0.237659 0.75 0.966461 ] [ 0.237659 0.25 0.033539 ] [ 0.762341 0.25 0.033539 ] [ 0.762341 0.75 0.966461 ] [ 0.5 0.550395 0.267204 ] [ 0.5 0.449605 0.732796 ] [ 0.5 0.949605 0.267204 ] [ 0.5 0.050395 0.732796 ] ] } "species" { "source-value" [ "Zn" "Zn" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.47740582 "source-unit" "angstrom" } "b" { "source-value" 6.5575262 "source-unit" "angstrom" } "c" { "source-value" 7.50651603 "source-unit" "angstrom" } }