{ "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" [ [ 0.718032 0.043516 0.651107 ] [ 0.281968 0.543516 0.848893 ] [ 0.281968 0.956484 0.348893 ] [ 0.718032 0.456484 0.151107 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.791076 0.677545 0.338754 ] [ 0.208924 0.177545 0.161246 ] [ 0.208924 0.322455 0.661246 ] [ 0.791076 0.822455 0.838754 ] [ 0.208855 0.806445 0.573906 ] [ 0.791145 0.306445 0.926094 ] [ 0.208855 0.693555 0.073906 ] [ 0.791145 0.193555 0.426094 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Pd" "Pd" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.49787597369 "source-unit" "angstrom" } "b" { "source-value" 5.66813867 "source-unit" "angstrom" } "c" { "source-value" 10.246586345 "source-unit" "angstrom" } "beta" { "source-value" 95.1895816642 "source-unit" "degree" } }