{ "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" [ [ 0.211998 0 0.330072 ] [ 0.788002 0 0.669928 ] [ 0.711998 0.5 0.330072 ] [ 0.288002 0.5 0.669928 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.888675 0.80397 0.844523 ] [ 0.888675 0.19603 0.844523 ] [ 0.111325 0.19603 0.155477 ] [ 0.621134 0 0.711519 ] [ 0.111325 0.80397 0.155477 ] [ 0.180125 0 0.614126 ] [ 0.819875 0 0.385874 ] [ 0.378866 0 0.288481 ] [ 0.388675 0.30397 0.844523 ] [ 0.388675 0.69603 0.844523 ] [ 0.611325 0.69603 0.155477 ] [ 0.121134 0.5 0.711519 ] [ 0.611325 0.30397 0.155477 ] [ 0.680125 0.5 0.614126 ] [ 0.319875 0.5 0.385874 ] [ 0.878866 0.5 0.288481 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Pd" "Pd" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.3225473354 "source-unit" "angstrom" } "b" { "source-value" 8.83012745068 "source-unit" "angstrom" } "c" { "source-value" 7.7625402185 "source-unit" "angstrom" } "beta" { "source-value" 98.8041755565 "source-unit" "degree" } }