{ "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 0.5 0 ] [ 0 0 0.5 ] [ 0.702833 0 0.728691 ] [ 0.297167 0 0.271309 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.202833 0.5 0.728691 ] [ 0.797167 0.5 0.271309 ] [ 0.5 0.805997 0.5 ] [ 0 0.694003 0.5 ] [ 0 0.305997 0.5 ] [ 0.5 0.194003 0.5 ] [ 0.648991 0 0.445183 ] [ 0.351009 0 0.554817 ] [ 0.221772 0 0.945217 ] [ 0.778228 0 0.054783 ] [ 0.841878 0 0.444219 ] [ 0.158122 0 0.555781 ] [ 0.114904 0.208996 0.032825 ] [ 0.885096 0.208996 0.967175 ] [ 0.885096 0.791004 0.967175 ] [ 0.114904 0.791004 0.032825 ] [ 0.148991 0.5 0.445183 ] [ 0.851009 0.5 0.554817 ] [ 0.721772 0.5 0.945217 ] [ 0.278228 0.5 0.054783 ] [ 0.341878 0.5 0.444219 ] [ 0.658122 0.5 0.555781 ] [ 0.614904 0.708996 0.032825 ] [ 0.385096 0.708996 0.967175 ] [ 0.385096 0.291004 0.967175 ] [ 0.614904 0.291004 0.032825 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.2569082669 "source-unit" "angstrom" } "b" { "source-value" 6.78521269757 "source-unit" "angstrom" } "c" { "source-value" 9.39358296575 "source-unit" "angstrom" } "beta" { "source-value" 150.332583416 "source-unit" "degree" } }