{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.309029 0.187897 0.604822 ] [ 0.809029 0.312103 0.104822 ] [ 0.944795 0.191348 0.917105 ] [ 0.944795 0.808652 0.417105 ] [ 0.809029 0.687897 0.604822 ] [ 0.309029 0.812103 0.104822 ] [ 0.444795 0.691348 0.917105 ] [ 0.444795 0.308652 0.417105 ] [ 0.505319 0.84364 0.74709 ] [ 0.005319 0.65636 0.24709 ] [ 0.005319 0.34364 0.74709 ] [ 0.505319 0.15636 0.24709 ] [ 0.622143 0.037129 0.888413 ] [ 0.337989 0.005456 0.578188 ] [ 0.837989 0.494544 0.078188 ] [ 0.122143 0.462871 0.388413 ] [ 0.401654 0.647044 0.797341 ] [ 0.575384 0.661957 0.680431 ] [ 0.075384 0.838043 0.180431 ] [ 0.901654 0.852956 0.297341 ] [ 0.122143 0.537129 0.888413 ] [ 0.837989 0.505456 0.578188 ] [ 0.337989 0.994544 0.078188 ] [ 0.622143 0.962871 0.388413 ] [ 0.901654 0.147044 0.797341 ] [ 0.075384 0.161957 0.680431 ] [ 0.575384 0.338043 0.180431 ] [ 0.401654 0.352956 0.297341 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "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" 9.02449903048 "source-unit" "angstrom" } "b" { "source-value" 4.7733028 "source-unit" "angstrom" } "c" { "source-value" 9.57919683611 "source-unit" "angstrom" } "beta" { "source-value" 127.666572732 "source-unit" "degree" } }