{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.251386 0.992774 0.652023 ] [ 0.248614 0.492774 0.847977 ] [ 0.748614 0.007226 0.347977 ] [ 0.751386 0.507226 0.152023 ] [ 0.755694 0.042568 0.886892 ] [ 0.744306 0.542568 0.613108 ] [ 0.244306 0.957432 0.113108 ] [ 0.255694 0.457432 0.386892 ] [ 0.308851 0.032731 0.875289 ] [ 0.191149 0.532731 0.624711 ] [ 0.691149 0.967269 0.124711 ] [ 0.808851 0.467269 0.375289 ] [ 0.765175 0.332982 0.954627 ] [ 0.734825 0.832982 0.545373 ] [ 0.234825 0.667018 0.045373 ] [ 0.265175 0.167018 0.454627 ] [ 0.26765 0.311141 0.246865 ] [ 0.23235 0.811141 0.253135 ] [ 0.73235 0.688859 0.753135 ] [ 0.76765 0.188859 0.746865 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sn" "Sn" "Sn" "Sn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 5.84800314745 "source-unit" "angstrom" } "b" { "source-value" 7.91253333 "source-unit" "angstrom" } "c" { "source-value" 16.3578379785 "source-unit" "angstrom" } "beta" { "source-value" 92.7661303387 "source-unit" "degree" } }