{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.374345 0.953727 0.440128 ] [ 0.625655 0.453727 0.559872 ] [ 0.180723 0.943705 0.915043 ] [ 0.139421 0.461716 0.413223 ] [ 0.819277 0.443705 0.084957 ] [ 0.860579 0.961716 0.586777 ] [ 0.368693 0.595819 0.115216 ] [ 0.148502 0.321079 0.732823 ] [ 0.631307 0.095819 0.884784 ] [ 0.851498 0.821079 0.267177 ] [ 0.600518 0.203895 0.268393 ] [ 0.95255 0.728208 0.883678 ] [ 0.04745 0.228208 0.116322 ] [ 0.399482 0.703895 0.731607 ] [ 0.962196 0.401629 0.564729 ] [ 0.297869 0.293597 0.557782 ] [ 0.038009 0.082979 0.743078 ] [ 0.037804 0.901629 0.435271 ] [ 0.359122 0.578677 0.342055 ] [ 0.308441 0.846692 0.115024 ] [ 0.629289 0.630665 0.124024 ] [ 0.961991 0.582979 0.256922 ] [ 0.691559 0.346692 0.884976 ] [ 0.640878 0.078677 0.657945 ] [ 0.370711 0.130665 0.875976 ] [ 0.702131 0.793597 0.442218 ] ] } "species" { "source-value" [ "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Cl" "Cl" "Cl" "Cl" "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" 7.30303773178 "source-unit" "angstrom" } "b" { "source-value" 7.37437872 "source-unit" "angstrom" } "c" { "source-value" 8.38358528368 "source-unit" "angstrom" } "beta" { "source-value" 96.7324779159 "source-unit" "degree" } }