{ "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" [ [ 0.240187 0.5 0.789956 ] [ 0.759813 0.5 0.210044 ] [ 0.130704 0.5 0.920288 ] [ 0.869296 0.5 0.079712 ] [ 0.06745 0 0.591357 ] [ 0.93255 0 0.408643 ] [ 0.740187 0 0.789956 ] [ 0.259813 0 0.210044 ] [ 0.630704 0 0.920288 ] [ 0.369296 0 0.079712 ] [ 0.56745 0.5 0.591357 ] [ 0.43255 0.5 0.408643 ] [ 0.838897 0.5 0.820195 ] [ 0.161103 0.5 0.179805 ] [ 0.036701 0 0.827386 ] [ 0.963299 0 0.172614 ] [ 0.153547 0.5 0.546116 ] [ 0.846453 0.5 0.453884 ] [ 0.338897 0 0.820195 ] [ 0.661103 0 0.179805 ] [ 0.536701 0.5 0.827386 ] [ 0.463299 0.5 0.172614 ] [ 0.653547 0 0.546116 ] [ 0.346453 0 0.453884 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.64960367 "source-unit" "angstrom" } "b" { "source-value" 3.83325888 "source-unit" "angstrom" } "c" { "source-value" 9.90234887 "source-unit" "angstrom" } "beta" { "source-value" 104.8194674 "source-unit" "degree" } }