{ "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" [ [ 0.768482 0.489599 0.206398 ] [ 0.768482 0.010401 0.206398 ] [ 0.231518 0.510401 0.793602 ] [ 0.231518 0.989599 0.793602 ] [ 0.23108 0.25 0.358744 ] [ 0.76892 0.75 0.641256 ] [ 0.270922 0.25 0.07264 ] [ 0.729078 0.75 0.92736 ] [ 0.28587 0.75 0.420911 ] [ 0.71413 0.25 0.579089 ] [ 0.705139 0.75 0.065709 ] [ 0.049935 0.25 0.138013 ] [ 0.467312 0.25 0.163119 ] [ 0.197818 0.926376 0.341407 ] [ 0.197818 0.573624 0.341407 ] [ 0.815946 0.25 0.424808 ] [ 0.570849 0.75 0.430052 ] [ 0.429151 0.25 0.569948 ] [ 0.184054 0.75 0.575192 ] [ 0.802182 0.426376 0.658593 ] [ 0.802182 0.073624 0.658593 ] [ 0.532688 0.75 0.836881 ] [ 0.950065 0.75 0.861987 ] [ 0.294861 0.25 0.934291 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "C" "C" "S" "S" "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" 5.29202586 "source-unit" "angstrom" } "b" { "source-value" 6.86513514 "source-unit" "angstrom" } "c" { "source-value" 9.08266257 "source-unit" "angstrom" } "beta" { "source-value" 90.25185956 "source-unit" "degree" } }