{ "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 0.5 ] [ 0.5 0.5 0 ] [ 0.48922 0.046924 0.246054 ] [ 0.01078 0.546924 0.253946 ] [ 0.51078 0.953076 0.753946 ] [ 0.98922 0.453076 0.746054 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.660477 0.232931 0.563608 ] [ 0.839523 0.732931 0.936392 ] [ 0.339523 0.767069 0.436392 ] [ 0.160477 0.267069 0.063608 ] [ 0.728239 0.169213 0.956388 ] [ 0.771761 0.669213 0.543612 ] [ 0.271761 0.830787 0.043612 ] [ 0.228239 0.330787 0.456388 ] [ 0.100015 0.04793 0.78377 ] [ 0.399985 0.54793 0.71623 ] [ 0.899985 0.95207 0.21623 ] [ 0.600015 0.45207 0.28377 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Al" "Al" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.34582837022 "source-unit" "angstrom" } "b" { "source-value" 5.54309454 "source-unit" "angstrom" } "c" { "source-value" 7.70949002432 "source-unit" "angstrom" } "beta" { "source-value" 90.0253195819 "source-unit" "degree" } }