{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.250805 0.75 0.063526 ] [ 0.753352 0.009663 0.238629 ] [ 0.753352 0.490337 0.238629 ] [ 0.246648 0.509663 0.761371 ] [ 0.246648 0.990337 0.761371 ] [ 0.749195 0.25 0.936474 ] [ 0.232863 0.25 0.334307 ] [ 0.767137 0.75 0.665693 ] [ 0.265552 0.25 0.062154 ] [ 0.734448 0.75 0.937846 ] [ 0.294452 0.75 0.419252 ] [ 0.705548 0.25 0.580748 ] [ 0.71272 0.75 0.0864 ] [ 0.033758 0.25 0.13443 ] [ 0.475812 0.25 0.158263 ] [ 0.221836 0.926826 0.329553 ] [ 0.221836 0.573174 0.329553 ] [ 0.57332 0.75 0.446487 ] [ 0.838607 0.25 0.438649 ] [ 0.161393 0.75 0.561351 ] [ 0.42668 0.25 0.553513 ] [ 0.778164 0.426826 0.670447 ] [ 0.778164 0.073174 0.670447 ] [ 0.524188 0.75 0.841737 ] [ 0.966242 0.75 0.86557 ] [ 0.28728 0.25 0.9136 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "B" "B" "S" "S" "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" 5.31811056 "source-unit" "angstrom" } "b" { "source-value" 6.76520545 "source-unit" "angstrom" } "c" { "source-value" 9.11217018 "source-unit" "angstrom" } "beta" { "source-value" 90.94413752 "source-unit" "degree" } }