{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.999962 0.25 0 ] [ 0.000038 0.75 0.5 ] [ 0.000038 0.75 0 ] [ 0.999962 0.25 0.5 ] [ 0.380151 0.056957 0.25 ] [ 0.380151 0.443043 0.75 ] [ 0.619849 0.556957 0.25 ] [ 0.619849 0.943043 0.75 ] [ 0.083916 0.986761 0.38646 ] [ 0.083916 0.513239 0.61354 ] [ 0.916084 0.486761 0.11354 ] [ 0.916084 0.013239 0.88646 ] [ 0.916084 0.013239 0.61354 ] [ 0.916084 0.486761 0.38646 ] [ 0.083916 0.513239 0.88646 ] [ 0.083916 0.986761 0.11354 ] [ 0.064312 0.214269 0.25 ] [ 0.064312 0.285731 0.75 ] [ 0.935688 0.714269 0.25 ] [ 0.935688 0.785731 0.75 ] [ 0.485647 0.702854 0.111261 ] [ 0.485647 0.797146 0.888739 ] [ 0.514353 0.202854 0.388739 ] [ 0.514353 0.297146 0.611261 ] [ 0.514353 0.297146 0.888739 ] [ 0.514353 0.202854 0.111261 ] [ 0.485647 0.797146 0.611261 ] [ 0.485647 0.702854 0.388739 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sb" "Sb" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.47101656 "source-unit" "angstrom" } "b" { "source-value" 8.98069263 "source-unit" "angstrom" } "c" { "source-value" 11.40553868 "source-unit" "angstrom" } }