{ "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 0.307435 0 ] [ 0 0.692565 0 ] [ 0.5 0.807435 0 ] [ 0.5 0.192565 0 ] [ 0.782661 0 0.588677 ] [ 0.217339 0 0.411323 ] [ 0.282661 0.5 0.588677 ] [ 0.717339 0.5 0.411323 ] [ 0.234569 0.148802 0.221021 ] [ 0.765431 0.148802 0.778979 ] [ 0.765431 0.851198 0.778979 ] [ 0.234569 0.851198 0.221021 ] [ 0 0 0.5 ] [ 0.380116 0 0.712833 ] [ 0.619884 0 0.287167 ] [ 0.734569 0.648802 0.221021 ] [ 0.265431 0.648802 0.778979 ] [ 0.265431 0.351198 0.778979 ] [ 0.734569 0.351198 0.221021 ] [ 0.5 0.5 0.5 ] [ 0.880116 0.5 0.712833 ] [ 0.119884 0.5 0.287167 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Si" "Si" "Si" "Si" "O" "O" "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" 6.93292347401 "source-unit" "angstrom" } "b" { "source-value" 9.09111876452 "source-unit" "angstrom" } "c" { "source-value" 4.78859942574 "source-unit" "angstrom" } "beta" { "source-value" 101.893595299 "source-unit" "degree" } }