{ "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" [ [ 0.229259 0.38928 0.970225 ] [ 0.770741 0.61072 0.029775 ] [ 0.770741 0.88928 0.529775 ] [ 0.229259 0.11072 0.470225 ] [ 0.26938 0.663498 0.10069 ] [ 0.706559 0.738318 0.17244 ] [ 0.293441 0.261682 0.82756 ] [ 0.73062 0.163498 0.39931 ] [ 0.558581 0.758424 0.418328 ] [ 0.115246 0.659666 0.84673 ] [ 0.115246 0.840334 0.34673 ] [ 0.706559 0.761682 0.67244 ] [ 0.26938 0.836502 0.60069 ] [ 0.293441 0.238318 0.32756 ] [ 0.441419 0.258424 0.081672 ] [ 0.558581 0.741576 0.918328 ] [ 0.73062 0.336502 0.89931 ] [ 0.884754 0.159666 0.65327 ] [ 0.441419 0.241576 0.581672 ] [ 0.884754 0.340334 0.15327 ] [ 0.89238 0.716791 0.514945 ] [ 0.89238 0.783209 0.014945 ] [ 0.10762 0.216791 0.985055 ] [ 0.10762 0.283209 0.485055 ] ] } "species" { "source-value" [ "Os" "Os" "Os" "Os" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 10.2094816997 "source-unit" "angstrom" } "b" { "source-value" 6.00873181 "source-unit" "angstrom" } "c" { "source-value" 12.731207387 "source-unit" "angstrom" } "beta" { "source-value" 110.517005278 "source-unit" "degree" } }