{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.038469 0 0.19538 ] [ 0.961531 0 0.80462 ] [ 0.538469 0.5 0.19538 ] [ 0.461531 0.5 0.80462 ] [ 0.112959 0.5 0.472337 ] [ 0.887041 0.5 0.527663 ] [ 0.201978 0.5 0.107655 ] [ 0.798022 0.5 0.892345 ] [ 0.612959 0 0.472337 ] [ 0.387041 0 0.527663 ] [ 0.701978 0 0.107655 ] [ 0.298022 0 0.892345 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.43985121901 "source-unit" "angstrom" } "b" { "source-value" 3.42593834587 "source-unit" "angstrom" } "c" { "source-value" 8.79123188617 "source-unit" "angstrom" } "beta" { "source-value" 129.158765373 "source-unit" "degree" } }