{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.782764 0 0.834048 ] [ 0.217236 0 0.165952 ] [ 0.156942 0.5 0.450233 ] [ 0.843058 0.5 0.549767 ] [ 0.067839 0.5 0.712364 ] [ 0.932161 0.5 0.287636 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.282764 0.5 0.834048 ] [ 0.717236 0.5 0.165952 ] [ 0.656942 0 0.450233 ] [ 0.343058 0 0.549767 ] [ 0.567839 0 0.712364 ] [ 0.432161 0 0.287636 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.937519 0 0.726707 ] [ 0.062481 0 0.273293 ] [ 0.813479 0 0.346584 ] [ 0.186521 0 0.653416 ] [ 0.138353 0.5 0.97923 ] [ 0.861647 0.5 0.02077 ] [ 0.437519 0.5 0.726707 ] [ 0.562481 0.5 0.273293 ] [ 0.313479 0.5 0.346584 ] [ 0.686521 0.5 0.653416 ] [ 0.638353 0 0.97923 ] [ 0.361647 0 0.02077 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.0099225 "source-unit" "angstrom" } "b" { "source-value" 3.53489613 "source-unit" "angstrom" } "c" { "source-value" 9.39959332 "source-unit" "angstrom" } "beta" { "source-value" 103.84736186 "source-unit" "degree" } }