{ "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" [ [ 0.466806 0.359946 0.415363 ] [ 0.966806 0.140054 0.415363 ] [ 0.033194 0.859946 0.584637 ] [ 0.533194 0.640054 0.584637 ] [ 0.180254 0.164127 0.050171 ] [ 0.819746 0.835873 0.949829 ] [ 0.319746 0.664127 0.949829 ] [ 0.680254 0.335873 0.050171 ] [ 0.057996 0.408137 0.703233 ] [ 0.557996 0.091863 0.703233 ] [ 0.942004 0.591863 0.296767 ] [ 0.442004 0.908137 0.296767 ] [ 0.748724 0.95801 0.749261 ] [ 0.340577 0.818645 0.436429 ] [ 0.248724 0.54199 0.749261 ] [ 0.740886 0.953476 0.371643 ] [ 0.575382 0.172909 0.887546 ] [ 0.075382 0.327091 0.887546 ] [ 0.759114 0.453476 0.628357 ] [ 0.240886 0.546524 0.371643 ] [ 0.549142 0.73699 0.833535 ] [ 0.751276 0.45801 0.250739 ] [ 0.159423 0.318645 0.563571 ] [ 0.950858 0.23699 0.166465 ] [ 0.840577 0.681355 0.436429 ] [ 0.924618 0.672909 0.112454 ] [ 0.450858 0.26301 0.166465 ] [ 0.259114 0.046524 0.628357 ] [ 0.424618 0.827091 0.112454 ] [ 0.251276 0.04199 0.250739 ] [ 0.049142 0.76301 0.833535 ] [ 0.659423 0.181355 0.563571 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sb" "Sb" "Sb" "Sb" "Mo" "Mo" "Mo" "Mo" "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" 5.73584354057 "source-unit" "angstrom" } "b" { "source-value" 11.20099791 "source-unit" "angstrom" } "c" { "source-value" 8.69752022356 "source-unit" "angstrom" } "beta" { "source-value" 102.692820943 "source-unit" "degree" } }