{ "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" [ [ 0.963182 0.25 0.564656 ] [ 0.036818 0.75 0.435344 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.530166 0.493927 0.304515 ] [ 0.530166 0.006073 0.304515 ] [ 0.469834 0.993927 0.695485 ] [ 0.469834 0.506073 0.695485 ] [ 0.909319 0.25 0.021245 ] [ 0.850955 0.936327 0.215119 ] [ 0.850955 0.563673 0.215119 ] [ 0.742318 0.95866 0.531999 ] [ 0.742318 0.54134 0.531999 ] [ 0.659401 0.25 0.343883 ] [ 0.675444 0.949744 0.878525 ] [ 0.675444 0.550256 0.878525 ] [ 0.5768 0.25 0.684305 ] [ 0.4232 0.75 0.315695 ] [ 0.324556 0.050256 0.121475 ] [ 0.324556 0.449744 0.121475 ] [ 0.340599 0.75 0.656117 ] [ 0.257682 0.04134 0.468001 ] [ 0.257682 0.45866 0.468001 ] [ 0.149045 0.063673 0.784881 ] [ 0.149045 0.436327 0.784881 ] [ 0.090681 0.75 0.978755 ] ] } "species" { "source-value" [ "Y" "Y" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "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" 5.31756726 "source-unit" "angstrom" } "b" { "source-value" 7.54442321 "source-unit" "angstrom" } "c" { "source-value" 8.31815903 "source-unit" "angstrom" } "beta" { "source-value" 92.62064602 "source-unit" "degree" } }