{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.847257 0 0.611907 ] [ 0.347257 0.5 0.611907 ] [ 0.344861 0 0.111208 ] [ 0.844861 0.5 0.111208 ] [ 0.018334 0.811354 0.18892 ] [ 0.018334 0.188646 0.18892 ] [ 0.518334 0.311354 0.18892 ] [ 0.518334 0.688646 0.18892 ] [ 0.384806 0 0.797994 ] [ 0.884806 0.5 0.797994 ] [ 0.107084 0 0.10396 ] [ 0.956747 0.694426 0.269541 ] [ 0.956747 0.305574 0.269541 ] [ 0.607084 0.5 0.10396 ] [ 0.456747 0.194426 0.269541 ] [ 0.456747 0.805574 0.269541 ] ] } "species" { "source-value" [ "K" "K" "P" "P" "H" "H" "H" "H" "S" "S" "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" 6.58394340118 "source-unit" "angstrom" } "b" { "source-value" 6.37463592 "source-unit" "angstrom" } "c" { "source-value" 6.01697066302 "source-unit" "angstrom" } "beta" { "source-value" 108.319337619 "source-unit" "degree" } }