{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.735311 0.917402 0.246218 ] [ 0.264689 0.417402 0.753782 ] [ 0.769458 0.018162 0.899483 ] [ 0.230542 0.518162 0.100517 ] [ 0.238026 0.994721 0.433629 ] [ 0.761974 0.494721 0.566371 ] [ 0.586387 0.204258 0.775839 ] [ 0.651052 0.130896 0.067584 ] [ 0.949749 0.700751 0.104494 ] [ 0.050251 0.200751 0.895506 ] [ 0.035486 0.135778 0.302118 ] [ 0.157278 0.204667 0.579411 ] [ 0.348948 0.630896 0.932416 ] [ 0.413613 0.704258 0.224161 ] [ 0.480557 0.646367 0.6222 ] [ 0.519443 0.146367 0.3778 ] [ 0.842722 0.704667 0.420589 ] [ 0.964514 0.635778 0.697882 ] ] } "species" { "source-value" [ "Mg" "Mg" "I" "I" "I" "I" "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" 5.55170626769 "source-unit" "angstrom" } "b" { "source-value" 5.32640318 "source-unit" "angstrom" } "c" { "source-value" 9.49832914568 "source-unit" "angstrom" } "beta" { "source-value" 90.2978046751 "source-unit" "degree" } }