{ "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" [ [ 0.004984 0.038102 0.749049 ] [ 0.495016 0.538102 0.750951 ] [ 0.995016 0.961898 0.250951 ] [ 0.504984 0.461898 0.249049 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.073285 0.521324 0.247917 ] [ 0.200327 0.787931 0.960547 ] [ 0.28928 0.299272 0.963962 ] [ 0.799673 0.212069 0.039453 ] [ 0.71072 0.700728 0.036038 ] [ 0.926715 0.478676 0.752083 ] [ 0.426715 0.021324 0.252083 ] [ 0.299673 0.287931 0.539453 ] [ 0.21072 0.799272 0.536038 ] [ 0.573285 0.978676 0.747917 ] [ 0.700327 0.712069 0.460547 ] [ 0.78928 0.200728 0.463962 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "U" "U" "Zn" "Zn" "O" "O" "O" "O" "O" "O" "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" 5.84787265846 "source-unit" "angstrom" } "b" { "source-value" 5.91875165 "source-unit" "angstrom" } "c" { "source-value" 8.26580253579 "source-unit" "angstrom" } "beta" { "source-value" 90.0034488394 "source-unit" "degree" } }