{ "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" [ [ 0.04605 0.123266 0.75783 ] [ 0.95395 0.623266 0.74217 ] [ 0.95395 0.876734 0.24217 ] [ 0.04605 0.376734 0.25783 ] [ 0.524346 0.132447 0.280547 ] [ 0.475654 0.867553 0.719453 ] [ 0.475654 0.632447 0.219453 ] [ 0.524346 0.367553 0.780547 ] [ 0.55241 0.162987 0.872695 ] [ 0.44759 0.662987 0.627305 ] [ 0.44759 0.837013 0.127305 ] [ 0.55241 0.337013 0.372695 ] [ 0.105573 0.376872 0.761609 ] [ 0.105573 0.123128 0.261609 ] [ 0.894427 0.623128 0.238391 ] [ 0.894427 0.876872 0.738391 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.18913891474 "source-unit" "angstrom" } "b" { "source-value" 12.5182125 "source-unit" "angstrom" } "c" { "source-value" 6.35582842754 "source-unit" "angstrom" } "beta" { "source-value" 94.7246524089 "source-unit" "degree" } }