{ "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" [ [ 0.303543 0.603698 0.690314 ] [ 0.196457 0.103698 0.309686 ] [ 0.696457 0.396302 0.309686 ] [ 0.803543 0.896302 0.690314 ] [ 0.931137 0.58382 0.034485 ] [ 0.568863 0.08382 0.965515 ] [ 0.068863 0.41618 0.965515 ] [ 0.431137 0.91618 0.034485 ] [ 0.32116 0.272188 0.771621 ] [ 0.17884 0.772188 0.228379 ] [ 0.67884 0.727812 0.228379 ] [ 0.82116 0.227812 0.771621 ] [ 0.861021 0.507879 0.769318 ] [ 0.508873 0.260675 0.58736 ] [ 0.008873 0.239325 0.58736 ] [ 0.991127 0.760675 0.41264 ] [ 0.168648 0.899845 0.127445 ] [ 0.331352 0.399845 0.872555 ] [ 0.831352 0.100155 0.872555 ] [ 0.668648 0.600155 0.127445 ] [ 0.561673 0.804355 0.97355 ] [ 0.938327 0.304355 0.02645 ] [ 0.438327 0.195645 0.02645 ] [ 0.061673 0.695645 0.97355 ] [ 0.138979 0.492121 0.230682 ] [ 0.361021 0.992121 0.769318 ] [ 0.491127 0.739325 0.41264 ] [ 0.638979 0.007879 0.230682 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "B" "B" "B" "B" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.14649004 "source-unit" "angstrom" } "b" { "source-value" 14.2615741 "source-unit" "angstrom" } "c" { "source-value" 6.53900205 "source-unit" "angstrom" } "beta" { "source-value" 109.5244193 "source-unit" "degree" } }