{ "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 0.245866 0.5 ] [ 0.5 0.745866 0.5 ] [ 0 0.631661 0.5 ] [ 0.5 0.131661 0.5 ] [ 0.213939 0.962504 0.913952 ] [ 0.786061 0.962504 0.086048 ] [ 0.713939 0.462504 0.913952 ] [ 0.286061 0.462504 0.086048 ] [ 0.16676 0.793057 0.753886 ] [ 0.377147 0.951766 0.221761 ] [ 0.262121 0.099747 0.694462 ] [ 0.83324 0.793057 0.246114 ] [ 0 0.041589 0 ] [ 0.737879 0.099747 0.305538 ] [ 0.622853 0.951766 0.778239 ] [ 0.66676 0.293057 0.753886 ] [ 0.877147 0.451766 0.221761 ] [ 0.762121 0.599747 0.694462 ] [ 0.33324 0.293057 0.246114 ] [ 0.5 0.541589 0 ] [ 0.237879 0.599747 0.305538 ] [ 0.122853 0.451766 0.778239 ] ] } "species" { "source-value" [ "Na" "Na" "Sc" "Sc" "As" "As" "As" "As" "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" 7.07402056571 "source-unit" "angstrom" } "b" { "source-value" 8.87496245089 "source-unit" "angstrom" } "c" { "source-value" 4.89163994895 "source-unit" "angstrom" } "beta" { "source-value" 102.015961286 "source-unit" "degree" } }