{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.204695 0.998605 0.220439 ] [ 0.107673 0.682387 0.370938 ] [ 0.892327 0.682387 0.629062 ] [ 0.795305 0.998605 0.779561 ] [ 0.704695 0.498605 0.220439 ] [ 0.607673 0.182387 0.370938 ] [ 0.392327 0.182387 0.629062 ] [ 0.295305 0.498605 0.779561 ] [ 0.80383 0.801037 0.759079 ] [ 0.8001 0.079728 0.562321 ] [ 0.1999 0.079728 0.437679 ] [ 0 0.056853 0 ] [ 0.422862 0.055839 0.207799 ] [ 0.577138 0.055839 0.792201 ] [ 0 0.788203 0.5 ] [ 0.19617 0.801037 0.240921 ] [ 0.30383 0.301037 0.759079 ] [ 0.3001 0.579728 0.562321 ] [ 0.6999 0.579728 0.437679 ] [ 0.5 0.556853 0 ] [ 0.922862 0.555839 0.207799 ] [ 0.077138 0.555839 0.792201 ] [ 0.5 0.288203 0.5 ] [ 0.69617 0.301037 0.240921 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 7.04709194415 "source-unit" "angstrom" } "b" { "source-value" 8.27532821264 "source-unit" "angstrom" } "c" { "source-value" 6.82387053154 "source-unit" "angstrom" } "beta" { "source-value" 116.529791274 "source-unit" "degree" } }