{ "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" [ [ 0.490833 0.461246 0.749434 ] [ 0.009167 0.961246 0.750566 ] [ 0.990833 0.038754 0.249434 ] [ 0.509167 0.538754 0.250566 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.08039 0.473467 0.272277 ] [ 0.41961 0.973467 0.227723 ] [ 0.91961 0.526533 0.727723 ] [ 0.58039 0.026533 0.772277 ] [ 0.187011 0.23324 0.546517 ] [ 0.312989 0.73324 0.953483 ] [ 0.812989 0.76676 0.453483 ] [ 0.687011 0.26676 0.046517 ] [ 0.766864 0.80846 0.039158 ] [ 0.733136 0.30846 0.460842 ] [ 0.233136 0.19154 0.960842 ] [ 0.266864 0.69154 0.539158 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "Te" "Te" "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" 5.84812913542 "source-unit" "angstrom" } "b" { "source-value" 5.93686564 "source-unit" "angstrom" } "c" { "source-value" 8.30897635601 "source-unit" "angstrom" } "beta" { "source-value" 90.2124823115 "source-unit" "degree" } }