{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.011594 0 0.656874 ] [ 0.006013 0 0.327423 ] [ 0.504812 0 0.833058 ] [ 0.519396 0 0.170142 ] [ 0.511594 0.5 0.656874 ] [ 0.506013 0.5 0.327423 ] [ 0.004812 0.5 0.833058 ] [ 0.019396 0.5 0.170142 ] [ 0.997309 0 0.00038 ] [ 0.496649 0 0.500753 ] [ 0.497309 0.5 0.00038 ] [ 0.996649 0.5 0.500753 ] [ 0.801046 0 0.166947 ] [ 0.195805 0 0.502822 ] [ 0.301046 0.5 0.166947 ] [ 0.695805 0.5 0.502822 ] [ 0.804214 0 0.501493 ] [ 0.795981 0 0.835087 ] [ 0.99774 0.695967 0.671846 ] [ 0.99647 0.696106 0.331962 ] [ 0.994685 0.692682 0.998945 ] [ 0.994685 0.307318 0.998945 ] [ 0.99774 0.304033 0.671846 ] [ 0.99647 0.303894 0.331962 ] [ 0.195157 0 0.830652 ] [ 0.194234 0 0.16886 ] [ 0.304214 0.5 0.501493 ] [ 0.295981 0.5 0.835087 ] [ 0.49774 0.195967 0.671846 ] [ 0.49647 0.196106 0.331962 ] [ 0.494685 0.192682 0.998945 ] [ 0.494685 0.807318 0.998945 ] [ 0.49774 0.804033 0.671846 ] [ 0.49647 0.803894 0.331962 ] [ 0.695157 0.5 0.830652 ] [ 0.694234 0.5 0.16886 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Cr" "Cr" "Cr" "Cr" "N" "N" "N" "N" "O" "O" "O" "O" "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" 6.7453179 "source-unit" "angstrom" } "b" { "source-value" 6.7294387 "source-unit" "angstrom" } "c" { "source-value" 9.22409272 "source-unit" "angstrom" } "beta" { "source-value" 90.31756248 "source-unit" "degree" } }