{ "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" [ [ 0.240779 0.052004 0.756185 ] [ 0.238338 0.054455 0.243018 ] [ 0.761662 0.554455 0.756982 ] [ 0.759221 0.552004 0.243815 ] [ 0.736916 0.4366 0.000519 ] [ 0.263084 0.9366 0.999481 ] [ 0.24358 0.505894 0.370699 ] [ 0.75642 0.005894 0.629301 ] [ 0.7309 0.441764 0.500985 ] [ 0.2691 0.941764 0.499015 ] [ 0.252205 0.493537 0.123797 ] [ 0.250494 0.493658 0.876659 ] [ 0.240214 0.508388 0.62866 ] [ 0.747795 0.993537 0.876203 ] [ 0.759786 0.008388 0.37134 ] [ 0.749506 0.993658 0.123341 ] [ 0.146622 0.528132 0.000633 ] [ 0.130725 0.548589 0.503132 ] [ 0.077577 0.812601 0.653102 ] [ 0.053577 0.788778 0.850264 ] [ 0.050673 0.790592 0.150205 ] [ 0.059953 0.827729 0.347995 ] [ 0.940047 0.327729 0.652005 ] [ 0.949327 0.290592 0.849795 ] [ 0.922423 0.312601 0.346898 ] [ 0.946423 0.288778 0.149736 ] [ 0.853378 0.028132 0.999367 ] [ 0.869275 0.048589 0.496868 ] [ 0.646579 0.957983 0.756182 ] [ 0.644398 0.958503 0.248637 ] [ 0.55428 0.696346 0.097053 ] [ 0.552463 0.693178 0.903912 ] [ 0.544961 0.697523 0.594235 ] [ 0.564744 0.713746 0.40641 ] [ 0.447537 0.193178 0.096088 ] [ 0.44572 0.196346 0.902947 ] [ 0.455039 0.197523 0.405765 ] [ 0.435256 0.213746 0.59359 ] [ 0.355602 0.458503 0.751363 ] [ 0.353421 0.457983 0.243818 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.86541615 "source-unit" "angstrom" } "b" { "source-value" 5.03465543 "source-unit" "angstrom" } "c" { "source-value" 14.06691078 "source-unit" "angstrom" } "beta" { "source-value" 90.05156386 "source-unit" "degree" } }