{ "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" [ [ 0.667747 0.86825 0.706396 ] [ 0.832253 0.36825 0.793604 ] [ 0.332253 0.13175 0.293604 ] [ 0.167747 0.63175 0.206396 ] [ 0.277968 0.563426 0.725918 ] [ 0.27762 0.292215 0.535786 ] [ 0.77762 0.207785 0.035786 ] [ 0.72238 0.707785 0.464214 ] [ 0.777968 0.936574 0.225918 ] [ 0.722032 0.436574 0.274082 ] [ 0.222032 0.063426 0.774082 ] [ 0.22238 0.792215 0.964214 ] [ 0.719121 0.0981 0.701063 ] [ 0.780879 0.5981 0.798937 ] [ 0.280879 0.9019 0.298937 ] [ 0.219121 0.4019 0.201063 ] [ 0.875631 0.083526 0.34789 ] [ 0.624369 0.583526 0.15211 ] [ 0.124369 0.916474 0.65211 ] [ 0.375631 0.416474 0.84789 ] [ 0.735771 0.796353 0.091046 ] [ 0.235771 0.703647 0.591046 ] [ 0.264229 0.203647 0.908954 ] [ 0.764229 0.296353 0.408954 ] [ 0.72303 0.112337 0.482387 ] [ 0.77697 0.612337 0.017613 ] [ 0.27697 0.887663 0.517613 ] [ 0.22303 0.387663 0.982387 ] [ 0.90266 0.92011 0.53744 ] [ 0.59734 0.42011 0.96256 ] [ 0.09734 0.07989 0.46256 ] [ 0.40266 0.57989 0.03744 ] [ 0.095893 0.942539 0.229377 ] [ 0.404107 0.442539 0.270623 ] [ 0.904107 0.057461 0.770623 ] [ 0.595893 0.557461 0.729377 ] [ 0.486233 0.93458 0.298879 ] [ 0.013767 0.43458 0.201121 ] [ 0.513767 0.06542 0.701121 ] [ 0.986233 0.56542 0.798879 ] [ 0.786982 0.846949 0.233933 ] [ 0.713018 0.346949 0.266067 ] [ 0.709655 0.940226 0.987231 ] [ 0.286982 0.653051 0.733933 ] [ 0.778634 0.023372 0.293626 ] [ 0.721366 0.523372 0.206374 ] [ 0.221366 0.976628 0.706374 ] [ 0.278634 0.476628 0.793626 ] [ 0.255548 0.723999 0.064597 ] [ 0.244452 0.223999 0.435403 ] [ 0.744452 0.276001 0.935403 ] [ 0.755548 0.776001 0.564597 ] [ 0.531135 0.809957 0.948077 ] [ 0.968865 0.309957 0.551923 ] [ 0.468865 0.190043 0.051923 ] [ 0.031135 0.690043 0.448077 ] [ 0.904717 0.790877 0.966017 ] [ 0.595283 0.290877 0.533983 ] [ 0.095283 0.209123 0.033983 ] [ 0.404717 0.709123 0.466017 ] [ 0.268944 0.841795 0.205707 ] [ 0.231056 0.341795 0.294293 ] [ 0.731056 0.158205 0.794293 ] [ 0.768944 0.658205 0.705707 ] [ 0.204372 0.760785 0.695451 ] [ 0.295628 0.260785 0.804549 ] [ 0.795628 0.239215 0.304549 ] [ 0.704372 0.739215 0.195451 ] [ 0.145628 0.875267 0.818745 ] [ 0.354372 0.375267 0.681255 ] [ 0.854372 0.124733 0.181255 ] [ 0.645628 0.624733 0.318745 ] [ 0.209655 0.559774 0.487231 ] [ 0.290345 0.059774 0.012769 ] [ 0.790345 0.440226 0.512769 ] [ 0.213018 0.153051 0.766067 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.49479740681 "source-unit" "angstrom" } "b" { "source-value" 22.73698738 "source-unit" "angstrom" } "c" { "source-value" 7.24246632156 "source-unit" "angstrom" } "beta" { "source-value" 99.7751125624 "source-unit" "degree" } }