{ "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" [ [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.230705 0 0.206693 ] [ 0.991502 0.245353 0.203646 ] [ 0.991502 0.754647 0.203646 ] [ 0.731706 0 0.20908 ] [ 0.268294 0 0.79092 ] [ 0.008498 0.245353 0.796354 ] [ 0.008498 0.754647 0.796354 ] [ 0.769295 0 0.793307 ] [ 0.730705 0.5 0.206693 ] [ 0.491502 0.745353 0.203646 ] [ 0.491502 0.254647 0.203646 ] [ 0.231706 0.5 0.20908 ] [ 0.768294 0.5 0.79092 ] [ 0.508498 0.745353 0.796354 ] [ 0.508498 0.254647 0.796354 ] [ 0.269295 0.5 0.793307 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ni" "Ni" "O" "O" "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" 9.84451545 "source-unit" "angstrom" } "b" { "source-value" 5.72297594 "source-unit" "angstrom" } "c" { "source-value" 5.92288648 "source-unit" "angstrom" } "beta" { "source-value" 124.17863108 "source-unit" "degree" } }