{ "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" [ [ 0.722923 0.727254 0.153318 ] [ 0.246917 0.474769 0.306086 ] [ 0.777077 0.227254 0.346682 ] [ 0.253083 0.974769 0.193914 ] [ 0.222923 0.772746 0.653318 ] [ 0.277077 0.272746 0.846682 ] [ 0.753083 0.525231 0.693914 ] [ 0.746917 0.025231 0.806086 ] [ 0.154587 0.012057 0.88585 ] [ 0.912962 0.257484 0.643148 ] [ 0.087038 0.742516 0.356852 ] [ 0.078135 0.57784 0.024144 ] [ 0.578135 0.92216 0.524144 ] [ 0.845413 0.987943 0.11415 ] [ 0.412962 0.242516 0.143148 ] [ 0.421865 0.07784 0.475856 ] [ 0.654587 0.487943 0.38585 ] [ 0.587038 0.757484 0.856852 ] [ 0.921865 0.42216 0.975856 ] [ 0.345413 0.512057 0.61415 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 5.93078724592 "source-unit" "angstrom" } "b" { "source-value" 7.77157836 "source-unit" "angstrom" } "c" { "source-value" 7.96070726515 "source-unit" "angstrom" } "beta" { "source-value" 104.029240979 "source-unit" "degree" } }