{ "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" [ [ 0.334636 0 0.178599 ] [ 0.665364 0 0.821401 ] [ 0.834636 0.5 0.178599 ] [ 0.165364 0.5 0.821401 ] [ 0.137329 0.720413 0.297251 ] [ 0.862671 0.720413 0.702749 ] [ 0.987287 0 0.271443 ] [ 0.012713 0 0.728557 ] [ 0.137329 0.279587 0.297251 ] [ 0.862671 0.279587 0.702749 ] [ 0.637329 0.220413 0.297251 ] [ 0.362671 0.220413 0.702749 ] [ 0.487287 0.5 0.271443 ] [ 0.512713 0.5 0.728557 ] [ 0.637329 0.779587 0.297251 ] [ 0.362671 0.779587 0.702749 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.9940116 "source-unit" "angstrom" } "b" { "source-value" 8.62976918 "source-unit" "angstrom" } "c" { "source-value" 6.57745604 "source-unit" "angstrom" } "beta" { "source-value" 112.80458686 "source-unit" "degree" } }