{ "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" [ [ 0.076588 0.350551 0.823687 ] [ 0.576588 0.149449 0.823687 ] [ 0.423412 0.850551 0.176313 ] [ 0.923412 0.649449 0.176313 ] [ 0.438073 0.62583 0.672035 ] [ 0.061927 0.12583 0.327965 ] [ 0.938073 0.87417 0.672035 ] [ 0.561927 0.37417 0.327965 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.247759 0.910895 0.609064 ] [ 0.252241 0.410895 0.390936 ] [ 0.747759 0.589105 0.609064 ] [ 0.752241 0.089105 0.390936 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ba" "Ba" "Ba" "Ba" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.67768405 "source-unit" "angstrom" } "b" { "source-value" 7.87042423 "source-unit" "angstrom" } "c" { "source-value" 7.71110549 "source-unit" "angstrom" } "beta" { "source-value" 117.51717983 "source-unit" "degree" } }