{ "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 0.687534 0.5 ] [ 0 0.312466 0.5 ] [ 0.5 0.187534 0.5 ] [ 0.5 0.812466 0.5 ] [ 0.754672 0 0.100734 ] [ 0.245328 0 0.899266 ] [ 0.254672 0.5 0.100734 ] [ 0.745328 0.5 0.899266 ] [ 0.771879 0.162501 0.293893 ] [ 0.771879 0.837499 0.293893 ] [ 0.577485 0 0.77741 ] [ 0.422515 0 0.22259 ] [ 0 0 0 ] [ 0.228121 0.162501 0.706107 ] [ 0.228121 0.837499 0.706107 ] [ 0.271879 0.662501 0.293893 ] [ 0.271879 0.337499 0.293893 ] [ 0.077485 0.5 0.77741 ] [ 0.922515 0.5 0.22259 ] [ 0.5 0.5 0 ] [ 0.728121 0.662501 0.706107 ] [ 0.728121 0.337499 0.706107 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "V" "V" "V" "V" "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" 6.6622211 "source-unit" "angstrom" } "b" { "source-value" 9.49959178 "source-unit" "angstrom" } "c" { "source-value" 5.24298535 "source-unit" "angstrom" } "beta" { "source-value" 100.57778254 "source-unit" "degree" } }