{ "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" [ [ 0.798818 0.25 0.463737 ] [ 0.521116 0.75 0.158871 ] [ 0.201182 0.75 0.536263 ] [ 0.478884 0.25 0.841129 ] [ 0.726528 0.75 0.719787 ] [ 0.273472 0.25 0.280213 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.305117 0.25 0.502592 ] [ 0.694883 0.75 0.497408 ] [ 0.544278 0.25 0.174739 ] [ 0.455722 0.75 0.825261 ] [ 0.096421 0.512225 0.232569 ] [ 0.096421 0.987775 0.232569 ] [ 0.903579 0.487775 0.767431 ] [ 0.903579 0.012225 0.767431 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "As" "As" "Au" "Au" "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" 6.80854147 "source-unit" "angstrom" } "b" { "source-value" 7.03688663 "source-unit" "angstrom" } "c" { "source-value" 9.71565862 "source-unit" "angstrom" } "beta" { "source-value" 93.30188104 "source-unit" "degree" } }