{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.355666 0.75 ] [ 0 0.644334 0.25 ] [ 0.5 0.855666 0.75 ] [ 0.5 0.144334 0.25 ] [ 0 0.003513 0.25 ] [ 0 0.996487 0.75 ] [ 0.5 0.503513 0.25 ] [ 0.5 0.496487 0.75 ] [ 0.177455 0.098394 0.59304 ] [ 0.822545 0.098394 0.90696 ] [ 0.177455 0.901606 0.09304 ] [ 0.822545 0.901606 0.40696 ] [ 0.677455 0.598394 0.59304 ] [ 0.322545 0.598394 0.90696 ] [ 0.677455 0.401606 0.09304 ] [ 0.322545 0.401606 0.40696 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ga" "Ga" "Ga" "Ga" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.69442540628 "source-unit" "angstrom" } "b" { "source-value" 12.4550206203 "source-unit" "angstrom" } "c" { "source-value" 5.9844300824 "source-unit" "angstrom" } "beta" { "source-value" 112.470150834 "source-unit" "degree" } }