{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.678246 0.75 0.315618 ] [ 0.321754 0.25 0.684382 ] [ 0.702661 0.949325 0.027144 ] [ 0.702661 0.550675 0.027144 ] [ 0.9382 0.954631 0.179741 ] [ 0.9382 0.545369 0.179741 ] [ 0.704805 0.432903 0.254692 ] [ 0.704805 0.067097 0.254692 ] [ 0.290779 0.365557 0.340511 ] [ 0.290779 0.134443 0.340511 ] [ 0.056861 0.25 0.407264 ] [ 0.943139 0.75 0.592736 ] [ 0.709221 0.865557 0.659489 ] [ 0.709221 0.634443 0.659489 ] [ 0.295195 0.932903 0.745308 ] [ 0.295195 0.567097 0.745308 ] [ 0.0618 0.454631 0.820259 ] [ 0.0618 0.045369 0.820259 ] [ 0.297339 0.449325 0.972856 ] [ 0.297339 0.050675 0.972856 ] [ 0.762005 0.949353 0.181529 ] [ 0.762005 0.550647 0.181529 ] [ 0.233049 0.25 0.417507 ] [ 0.766951 0.75 0.582493 ] [ 0.237995 0.449353 0.818471 ] [ 0.237995 0.050647 0.818471 ] [ 0.338416 0.75 0.313651 ] [ 0.661584 0.25 0.686349 ] ] } "species" { "source-value" [ "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.25113944 "source-unit" "angstrom" } "b" { "source-value" 7.754538 "source-unit" "angstrom" } "c" { "source-value" 6.73545324 "source-unit" "angstrom" } "beta" { "source-value" 91.22027895 "source-unit" "degree" } }