{ "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" [ [ 0.350331 0 0.272464 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.649669 0 0.727536 ] [ 0.850331 0.5 0.272464 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.149669 0.5 0.727536 ] [ 0.33637 0 0.759618 ] [ 0.66363 0 0.240382 ] [ 0.83637 0.5 0.759618 ] [ 0.16363 0.5 0.240382 ] [ 0.204573 0 0.875637 ] [ 0.916113 0.275482 0.687167 ] [ 0.916113 0.724518 0.687167 ] [ 0.083887 0.275482 0.312833 ] [ 0.083887 0.724518 0.312833 ] [ 0.795427 0 0.124363 ] [ 0.704573 0.5 0.875637 ] [ 0.416113 0.775482 0.687167 ] [ 0.416113 0.224518 0.687167 ] [ 0.583887 0.775482 0.312833 ] [ 0.583887 0.224518 0.312833 ] [ 0.295427 0.5 0.124363 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "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" 9.89505779 "source-unit" "angstrom" } "b" { "source-value" 5.88663162 "source-unit" "angstrom" } "c" { "source-value" 6.21447746 "source-unit" "angstrom" } "beta" { "source-value" 109.30046302 "source-unit" "degree" } }