{ "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" [ [ 0.497245 0.512602 0.250331 ] [ 0.002755 0.012602 0.249669 ] [ 0.997245 0.987398 0.750331 ] [ 0.502755 0.487398 0.749669 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.050071 0.505074 0.74745 ] [ 0.449929 0.005074 0.75255 ] [ 0.949929 0.494926 0.25255 ] [ 0.550071 0.994926 0.24745 ] [ 0.228916 0.766173 0.473858 ] [ 0.271084 0.266173 0.026142 ] [ 0.771084 0.233827 0.526142 ] [ 0.728916 0.733827 0.973858 ] [ 0.765586 0.229304 0.974204 ] [ 0.734414 0.729304 0.525796 ] [ 0.234414 0.770696 0.025796 ] [ 0.265586 0.270696 0.474204 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ta" "Ta" "Fe" "Fe" "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" 5.67907421847 "source-unit" "angstrom" } "b" { "source-value" 5.66717506 "source-unit" "angstrom" } "c" { "source-value" 8.00581857858 "source-unit" "angstrom" } "beta" { "source-value" 90.0027650522 "source-unit" "degree" } }