{ "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" [ [ 0.2481 0.921855 0.141547 ] [ 0.2481 0.578145 0.641547 ] [ 0.7519 0.078145 0.858453 ] [ 0.7519 0.421855 0.358453 ] [ 0.906863 0.558565 0.303784 ] [ 0.706165 0.567309 0.513065 ] [ 0.408792 0.923763 0.294247 ] [ 0.803862 0.362639 0.910779 ] [ 0.706165 0.932691 0.013065 ] [ 0.591208 0.423763 0.205753 ] [ 0.196138 0.637361 0.089221 ] [ 0.093137 0.441435 0.696216 ] [ 0.093137 0.058565 0.196216 ] [ 0.591208 0.076237 0.705753 ] [ 0.293835 0.432691 0.486935 ] [ 0.196138 0.862639 0.589221 ] [ 0.293835 0.067309 0.986935 ] [ 0.803862 0.137361 0.410779 ] [ 0.906863 0.941435 0.803784 ] [ 0.408792 0.576237 0.794247 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "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" 11.2314564949 "source-unit" "angstrom" } "b" { "source-value" 7.34015055 "source-unit" "angstrom" } "c" { "source-value" 11.3811279225 "source-unit" "angstrom" } "beta" { "source-value" 102.716470677 "source-unit" "degree" } }