{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.834707 0 0.165948 ] [ 0.835365 0.5 0.670418 ] [ 0.165293 0 0.834052 ] [ 0 0.5 0.5 ] [ 0.164635 0.5 0.329582 ] [ 0.334707 0.5 0.165948 ] [ 0.335365 0 0.670418 ] [ 0.665293 0.5 0.834052 ] [ 0.5 0 0.5 ] [ 0.664635 0 0.329582 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.917938 0 0.589364 ] [ 0.920319 0.5 0.080843 ] [ 0.75089 0.5 0.247868 ] [ 0.079681 0.5 0.919157 ] [ 0.24911 0.5 0.752132 ] [ 0.082062 0 0.410636 ] [ 0.417938 0.5 0.589364 ] [ 0.420319 0 0.080843 ] [ 0.25089 0 0.247868 ] [ 0.579681 0 0.919157 ] [ 0.74911 0 0.752132 ] [ 0.582062 0.5 0.410636 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Mn" "Mn" "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" 17.51106982 "source-unit" "angstrom" } "b" { "source-value" 3.38158877 "source-unit" "angstrom" } "c" { "source-value" 5.8510225 "source-unit" "angstrom" } "beta" { "source-value" 109.40757349 "source-unit" "degree" } }