{ "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" [ [ 0.225842 0.498542 0.198025 ] [ 0.274158 0.998542 0.301975 ] [ 0.774158 0.501458 0.801975 ] [ 0.725842 0.001458 0.698025 ] [ 0.235848 0.840044 0.924542 ] [ 0.264152 0.340044 0.575458 ] [ 0.764152 0.159956 0.075458 ] [ 0.735848 0.659956 0.424542 ] [ 0.259218 0.278981 0.918491 ] [ 0.240782 0.778981 0.581509 ] [ 0.740782 0.721019 0.081509 ] [ 0.759218 0.221019 0.418491 ] [ 0.474029 0.23579 0.819084 ] [ 0.025971 0.73579 0.680916 ] [ 0.525971 0.76421 0.180916 ] [ 0.974029 0.26421 0.319084 ] [ 0.01469 0.175913 0.860468 ] [ 0.48531 0.675913 0.639532 ] [ 0.98531 0.824087 0.139532 ] [ 0.51469 0.324087 0.360468 ] [ 0.321325 0.181005 0.069894 ] [ 0.178675 0.681005 0.430106 ] [ 0.678675 0.818995 0.930106 ] [ 0.821325 0.318995 0.569894 ] [ 0.718682 0.996392 0.432313 ] [ 0.781318 0.496392 0.067687 ] [ 0.281318 0.003608 0.567687 ] [ 0.218682 0.503608 0.932313 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Si" "Si" "Si" "Si" "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" 5.75418457218 "source-unit" "angstrom" } "b" { "source-value" 7.16138764 "source-unit" "angstrom" } "c" { "source-value" 9.85357462122 "source-unit" "angstrom" } "beta" { "source-value" 93.3774169244 "source-unit" "degree" } }