{ "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" [ [ 0.714591 0.009269 0.701484 ] [ 0.214591 0.490731 0.201484 ] [ 0.285409 0.990731 0.298516 ] [ 0.785409 0.509269 0.798516 ] [ 0.253609 0.961474 0.872975 ] [ 0.753609 0.538526 0.372975 ] [ 0.746391 0.038526 0.127025 ] [ 0.246391 0.461474 0.627025 ] [ 0.34071 0.226259 0.936212 ] [ 0.84071 0.273741 0.436212 ] [ 0.65929 0.773741 0.063788 ] [ 0.15929 0.726259 0.563788 ] [ 0.532946 0.243162 0.834373 ] [ 0.032946 0.256838 0.334373 ] [ 0.467054 0.756838 0.165627 ] [ 0.967054 0.743162 0.665627 ] [ 0.458547 0.170115 0.092002 ] [ 0.958547 0.329885 0.592002 ] [ 0.541453 0.829885 0.907998 ] [ 0.041453 0.670115 0.407998 ] [ 0.14443 0.071313 0.866497 ] [ 0.64443 0.428687 0.366497 ] [ 0.85557 0.928687 0.133503 ] [ 0.35557 0.571313 0.633503 ] [ 0.174277 0.379846 0.937892 ] [ 0.674277 0.120154 0.437892 ] [ 0.825723 0.620154 0.062108 ] [ 0.325723 0.879846 0.562108 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "H" "H" "H" "H" "S" "S" "S" "S" "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" 5.18827529482 "source-unit" "angstrom" } "b" { "source-value" 7.60294918 "source-unit" "angstrom" } "c" { "source-value" 8.90224920819 "source-unit" "angstrom" } "beta" { "source-value" 100.257454247 "source-unit" "degree" } }