{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.560035 0.25 ] [ 0.5 0.439965 0.75 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.724751 0.99905 0.462274 ] [ 0 0.768207 0.75 ] [ 0.275249 0.99905 0.037726 ] [ 0.724751 0.00095 0.962274 ] [ 0 0.231793 0.25 ] [ 0.275249 0.00095 0.537726 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.182978 0.809286 0.086631 ] [ 0.273106 0.29602 0.072137 ] [ 0.527581 0.901276 0.414495 ] [ 0.472419 0.901276 0.085505 ] [ 0.918329 0.594758 0.810025 ] [ 0.849288 0.977311 0.63635 ] [ 0.726894 0.29602 0.427863 ] [ 0.817022 0.809286 0.413369 ] [ 0.150712 0.977311 0.86365 ] [ 0.081671 0.594758 0.689975 ] [ 0.918329 0.405242 0.310025 ] [ 0.849288 0.022689 0.13635 ] [ 0.182978 0.190714 0.586631 ] [ 0.273106 0.70398 0.572137 ] [ 0.150712 0.022689 0.36365 ] [ 0.081671 0.405242 0.189975 ] [ 0.527581 0.098724 0.914495 ] [ 0.472419 0.098724 0.585505 ] [ 0.726894 0.70398 0.927863 ] [ 0.817022 0.190714 0.913369 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "H" "H" "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" 8.70299464 "source-unit" "angstrom" } "b" { "source-value" 4.90900765 "source-unit" "angstrom" } "c" { "source-value" 11.5603216 "source-unit" "angstrom" } "beta" { "source-value" 126.10765717 "source-unit" "degree" } }