{ "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" [ [ 0.334008 0.224864 0.119904 ] [ 0.571572 0.778883 0.134602 ] [ 0.066602 0.803355 0.154484 ] [ 0.428428 0.778883 0.365398 ] [ 0.665992 0.224864 0.380096 ] [ 0.933398 0.803355 0.345516 ] [ 0.066602 0.196645 0.654484 ] [ 0.334008 0.775136 0.619904 ] [ 0.571572 0.221117 0.634602 ] [ 0.933398 0.196645 0.845516 ] [ 0.428428 0.221117 0.865398 ] [ 0.665992 0.775136 0.880096 ] [ 0.788196 0.305596 0.104457 ] [ 0.211804 0.305596 0.395543 ] [ 0.788196 0.694404 0.604457 ] [ 0.211804 0.694404 0.895543 ] [ 0.272856 0.789603 0.082647 ] [ 0.613121 0.22555 0.140444 ] [ 0.80849 0.638232 0.111949 ] [ 0.386879 0.22555 0.359556 ] [ 0 0.170521 0.25 ] [ 0.727144 0.789603 0.417353 ] [ 0.19151 0.638232 0.388051 ] [ 0.80849 0.361768 0.611949 ] [ 0.272856 0.210397 0.582647 ] [ 0 0.829479 0.75 ] [ 0.613121 0.77445 0.640444 ] [ 0.19151 0.361768 0.888051 ] [ 0.386879 0.77445 0.859556 ] [ 0.727144 0.210397 0.917353 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ti" "Ti" "Ti" "Ti" "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" 8.92173347 "source-unit" "angstrom" } "b" { "source-value" 5.40604879 "source-unit" "angstrom" } "c" { "source-value" 10.36895053 "source-unit" "angstrom" } "beta" { "source-value" 117.2885886 "source-unit" "degree" } }