{ "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" [ [ 0.13692 0 0.047981 ] [ 0.86308 0 0.952019 ] [ 0.63692 0.5 0.047981 ] [ 0.36308 0.5 0.952019 ] [ 0.188398 0.5 0.436985 ] [ 0.057846 0 0.403459 ] [ 0.910148 0.5 0.363685 ] [ 0.089852 0.5 0.636315 ] [ 0.942154 0 0.596541 ] [ 0.811602 0.5 0.563015 ] [ 0.688398 0 0.436985 ] [ 0.557846 0.5 0.403459 ] [ 0.410148 0 0.363685 ] [ 0.589852 0 0.636315 ] [ 0.442154 0.5 0.596541 ] [ 0.311602 0 0.563015 ] [ 0.021591 0.5 0.229467 ] [ 0.978409 0.5 0.770533 ] [ 0.193933 0 0.684293 ] [ 0.806067 0 0.315707 ] [ 0.521591 0 0.229467 ] [ 0.478409 0 0.770533 ] [ 0.693933 0.5 0.684293 ] [ 0.306067 0.5 0.315707 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.9233130629 "source-unit" "angstrom" } "b" { "source-value" 4.49215927 "source-unit" "angstrom" } "c" { "source-value" 9.360337573 "source-unit" "angstrom" } "beta" { "source-value" 112.622682726 "source-unit" "degree" } }