{ "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" [ [ 0.759608 0.25 0.083361 ] [ 0.246399 0.002845 0.258907 ] [ 0.246399 0.497155 0.258907 ] [ 0.753601 0.502845 0.741093 ] [ 0.753601 0.997155 0.741093 ] [ 0.240392 0.75 0.916639 ] [ 0.769887 0.75 0.364426 ] [ 0.230113 0.25 0.635574 ] [ 0.702438 0.25 0.4074 ] [ 0.297562 0.75 0.5926 ] [ 0.735847 0.75 0.056594 ] [ 0.264153 0.25 0.943406 ] [ 0.287094 0.25 0.08432 ] [ 0.960173 0.75 0.117246 ] [ 0.532014 0.75 0.138308 ] [ 0.792191 0.07325 0.3181 ] [ 0.792191 0.42675 0.3181 ] [ 0.404433 0.25 0.414294 ] [ 0.196102 0.75 0.433085 ] [ 0.803898 0.25 0.566915 ] [ 0.595567 0.75 0.585706 ] [ 0.207809 0.57325 0.6819 ] [ 0.207809 0.92675 0.6819 ] [ 0.467986 0.25 0.861692 ] [ 0.039827 0.25 0.882754 ] [ 0.712906 0.75 0.91568 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cd" "Cd" "P" "P" "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" 5.255168 "source-unit" "angstrom" } "b" { "source-value" 7.00416387 "source-unit" "angstrom" } "c" { "source-value" 9.17599397 "source-unit" "angstrom" } "beta" { "source-value" 90.16386086 "source-unit" "degree" } }