{ "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" [ [ 0.367446 0.747312 0.583518 ] [ 0.367446 0.752688 0.083518 ] [ 0.632554 0.247312 0.916482 ] [ 0.632554 0.252688 0.416482 ] [ 0.171622 0.250414 0.272162 ] [ 0.171622 0.249586 0.772162 ] [ 0.828378 0.750414 0.227838 ] [ 0.828378 0.749586 0.727838 ] [ 0.836044 0.7591 0.962285 ] [ 0.352827 0.027022 0.34128 ] [ 0.356387 0.47254 0.334876 ] [ 0.352827 0.472978 0.84128 ] [ 0.836044 0.7409 0.462285 ] [ 0.00367 0.506569 0.246185 ] [ 0.643613 0.97254 0.165124 ] [ 0.163956 0.2409 0.037715 ] [ 0.163956 0.2591 0.537715 ] [ 0.99633 0.006569 0.253815 ] [ 0.99633 0.493431 0.753815 ] [ 0.647173 0.527022 0.15872 ] [ 0.356387 0.02746 0.834876 ] [ 0.00367 0.993431 0.746185 ] [ 0.647173 0.972978 0.65872 ] [ 0.643613 0.52746 0.665124 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "W" "W" "W" "W" "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" 7.91701819509 "source-unit" "angstrom" } "b" { "source-value" 5.84351772 "source-unit" "angstrom" } "c" { "source-value" 7.98959889622 "source-unit" "angstrom" } "beta" { "source-value" 105.254390216 "source-unit" "degree" } }