{ "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" [ [ 0.236483 0.492322 0.227728 ] [ 0.236483 0.007678 0.227728 ] [ 0.763517 0.507678 0.772272 ] [ 0.763517 0.992322 0.772272 ] [ 0.711046 0.25 0.421616 ] [ 0.288954 0.75 0.578384 ] [ 0.781869 0.75 0.358154 ] [ 0.218131 0.25 0.641846 ] [ 0.726621 0.75 0.069343 ] [ 0.273379 0.25 0.930657 ] [ 0.286317 0.25 0.064702 ] [ 0.943897 0.75 0.143903 ] [ 0.526846 0.75 0.150934 ] [ 0.807809 0.057213 0.330697 ] [ 0.807809 0.442787 0.330697 ] [ 0.162765 0.75 0.41256 ] [ 0.401196 0.25 0.431166 ] [ 0.598804 0.75 0.568834 ] [ 0.837235 0.25 0.58744 ] [ 0.192191 0.557213 0.669303 ] [ 0.192191 0.942787 0.669303 ] [ 0.473154 0.25 0.849066 ] [ 0.056103 0.25 0.856097 ] [ 0.713683 0.75 0.935298 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Si" "Si" "Sb" "Sb" "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" 5.32930255 "source-unit" "angstrom" } "b" { "source-value" 6.76295485 "source-unit" "angstrom" } "c" { "source-value" 9.30492579 "source-unit" "angstrom" } "beta" { "source-value" 91.60376939 "source-unit" "degree" } }