{ "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" [ [ 0.375248 0.25 0.784481 ] [ 0.624752 0.75 0.215519 ] [ 0.657509 0.25 0.455614 ] [ 0.342491 0.75 0.544386 ] [ 0.765917 0.25 0.685316 ] [ 0.234083 0.75 0.314684 ] [ 0.034502 0.25 0.61665 ] [ 0.965498 0.75 0.38335 ] [ 0.113522 0.25 0.114142 ] [ 0.886478 0.75 0.885858 ] [ 0.30461 0.25 0.995516 ] [ 0.69539 0.75 0.004484 ] [ 0.797673 0.25 0.332406 ] [ 0.202327 0.75 0.667594 ] [ 0.163153 0.25 0.495036 ] [ 0.836847 0.75 0.504964 ] [ 0.305914 0.25 0.234892 ] [ 0.694086 0.75 0.765108 ] [ 0.594719 0.25 0.074039 ] [ 0.405281 0.75 0.925961 ] [ 0.533595 0.25 0.586373 ] [ 0.466405 0.75 0.413627 ] [ 0.052042 0.25 0.868178 ] [ 0.947958 0.75 0.131822 ] ] } "species" { "source-value" [ "Tl" "Tl" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.94111633317 "source-unit" "angstrom" } "b" { "source-value" 3.98442037 "source-unit" "angstrom" } "c" { "source-value" 17.8761551636 "source-unit" "angstrom" } "beta" { "source-value" 94.9490069755 "source-unit" "degree" } }