{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.412544 0.717807 0.985006 ] [ 0.729996 0.176618 0.889403 ] [ 0.270004 0.676618 0.610597 ] [ 0.587456 0.217807 0.514994 ] [ 0.412544 0.782193 0.485006 ] [ 0.729996 0.323382 0.389403 ] [ 0.270004 0.823382 0.110597 ] [ 0.587456 0.282193 0.014994 ] [ 0.2541 0.15631 0.800692 ] [ 0.7459 0.65631 0.699308 ] [ 0.2541 0.34369 0.300692 ] [ 0.7459 0.84369 0.199308 ] [ 0.749435 0.250763 0.989277 ] [ 0.257128 0.268728 0.926549 ] [ 0.941277 0.623463 0.767058 ] [ 0.562197 0.583311 0.751784 ] [ 0.437803 0.083311 0.748216 ] [ 0.058723 0.123463 0.732942 ] [ 0.742872 0.768728 0.573451 ] [ 0.250565 0.750763 0.510723 ] [ 0.749435 0.249237 0.489277 ] [ 0.257128 0.231272 0.426549 ] [ 0.941277 0.876537 0.267058 ] [ 0.562197 0.916689 0.251784 ] [ 0.437803 0.416689 0.248216 ] [ 0.058723 0.376537 0.232942 ] [ 0.742872 0.731272 0.073451 ] [ 0.250565 0.749237 0.010723 ] ] } "species" { "source-value" [ "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "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" 5.75602739 "source-unit" "angstrom" } "b" { "source-value" 5.99838819 "source-unit" "angstrom" } "c" { "source-value" 8.69930915 "source-unit" "angstrom" } "beta" { "source-value" 91.30143763 "source-unit" "degree" } }