{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.046119 0.5 0.780199 ] [ 0.949446 0.5 0.230605 ] [ 0.546119 0 0.780199 ] [ 0.449446 0 0.230605 ] [ 0.114602 0 0.09141 ] [ 0.16695 0 0.437052 ] [ 0.235057 0 0.765045 ] [ 0.754463 0 0.223154 ] [ 0.83719 0 0.557157 ] [ 0.883183 0 0.91115 ] [ 0.614602 0.5 0.09141 ] [ 0.66695 0.5 0.437052 ] [ 0.735057 0.5 0.765045 ] [ 0.254463 0.5 0.223154 ] [ 0.33719 0.5 0.557157 ] [ 0.383183 0.5 0.91115 ] [ 0.143155 0.5 0.109607 ] [ 0.998012 0 0.998876 ] [ 0.643155 0 0.109607 ] [ 0.498012 0.5 0.998876 ] [ 0.069406 0 0.299273 ] [ 0.126654 0 0.614348 ] [ 0.16059 0 0.899235 ] [ 0.202256 0.5 0.42807 ] [ 0.756039 0 0.7515 ] [ 0.246165 0 0.255052 ] [ 0.798981 0.5 0.569475 ] [ 0.857323 0.5 0.879407 ] [ 0.837581 0 0.094034 ] [ 0.881933 0 0.389303 ] [ 0.931603 0 0.703538 ] [ 0.569406 0.5 0.299273 ] [ 0.626654 0.5 0.614348 ] [ 0.66059 0.5 0.899235 ] [ 0.702256 0 0.42807 ] [ 0.256039 0.5 0.7515 ] [ 0.746165 0.5 0.255052 ] [ 0.298981 0 0.569475 ] [ 0.357323 0 0.879407 ] [ 0.337581 0.5 0.094034 ] [ 0.381933 0.5 0.389303 ] [ 0.431603 0.5 0.703538 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "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" 15.22885764 "source-unit" "angstrom" } "b" { "source-value" 3.83407292 "source-unit" "angstrom" } "c" { "source-value" 9.31133657 "source-unit" "angstrom" } "beta" { "source-value" 97.75448937 "source-unit" "degree" } }