{ "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" [ [ 0.993966 0.967834 0.749258 ] [ 0.506034 0.467834 0.750742 ] [ 0.493966 0.532166 0.249258 ] [ 0.006034 0.032166 0.250742 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.699056 0.729845 0.537956 ] [ 0.800944 0.229845 0.962044 ] [ 0.300944 0.270155 0.462044 ] [ 0.199056 0.770155 0.037956 ] [ 0.230633 0.798159 0.465567 ] [ 0.269367 0.298159 0.034433 ] [ 0.769367 0.201841 0.534433 ] [ 0.730633 0.701841 0.965567 ] [ 0.568962 0.98285 0.264493 ] [ 0.931038 0.48285 0.235507 ] [ 0.431038 0.01715 0.735507 ] [ 0.068962 0.51715 0.764493 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Mn" "Mn" "W" "W" "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" 5.7465997997 "source-unit" "angstrom" } "b" { "source-value" 5.79004104 "source-unit" "angstrom" } "c" { "source-value" 8.12984571596 "source-unit" "angstrom" } "beta" { "source-value" 90.076322559 "source-unit" "degree" } }