{ "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" [ [ 0.761691 0.992854 0.235551 ] [ 0.761691 0.507146 0.235551 ] [ 0.238309 0.492854 0.764449 ] [ 0.238309 0.007146 0.764449 ] [ 0.205352 0.25 0.347666 ] [ 0.794648 0.75 0.652334 ] [ 0.294589 0.75 0.428999 ] [ 0.705411 0.25 0.571001 ] [ 0.271833 0.25 0.076888 ] [ 0.728167 0.75 0.923112 ] [ 0.70021 0.75 0.059576 ] [ 0.048747 0.25 0.140617 ] [ 0.461564 0.25 0.175214 ] [ 0.219846 0.956883 0.331842 ] [ 0.219846 0.543117 0.331842 ] [ 0.870424 0.25 0.418074 ] [ 0.601061 0.75 0.463936 ] [ 0.398939 0.25 0.536064 ] [ 0.129576 0.75 0.581926 ] [ 0.780154 0.456883 0.668158 ] [ 0.780154 0.043117 0.668158 ] [ 0.538436 0.75 0.824786 ] [ 0.951253 0.75 0.859383 ] [ 0.29979 0.25 0.940424 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cr" "Cr" "Si" "Si" "C" "C" "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" 5.26686759 "source-unit" "angstrom" } "b" { "source-value" 6.47395679 "source-unit" "angstrom" } "c" { "source-value" 9.04811238 "source-unit" "angstrom" } "beta" { "source-value" 91.08617836 "source-unit" "degree" } }