{ "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" [ [ 0.999918 0 0.706394 ] [ 0.000082 0 0.293606 ] [ 0.499918 0.5 0.706394 ] [ 0.500082 0.5 0.293606 ] [ 0.116583 0 0.065387 ] [ 0.883417 0 0.934613 ] [ 0.143283 0 0.580833 ] [ 0.856717 0 0.419167 ] [ 0.616583 0.5 0.065387 ] [ 0.383417 0.5 0.934613 ] [ 0.643283 0.5 0.580833 ] [ 0.356717 0.5 0.419167 ] [ 0.999945 0.5 0.713005 ] [ 0.000055 0.5 0.286995 ] [ 0.499945 0 0.713005 ] [ 0.500055 0 0.286995 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "I" "I" "I" "I" "I" "I" "I" "I" "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" 16.7183468323 "source-unit" "angstrom" } "b" { "source-value" 3.90328145743 "source-unit" "angstrom" } "c" { "source-value" 7.53353928713 "source-unit" "angstrom" } "beta" { "source-value" 104.675398659 "source-unit" "degree" } }