{ "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 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.75 0.75 0 ] [ 0.999118 0.259766 0.77583 ] [ 0.76398 0 0.774303 ] [ 0.999118 0.740234 0.77583 ] [ 0.778326 0.5 0.79562 ] [ 0.221674 0.5 0.20438 ] [ 0.000882 0.259766 0.22417 ] [ 0.23602 0 0.225697 ] [ 0.000882 0.740234 0.22417 ] [ 0.499118 0.759766 0.77583 ] [ 0.26398 0.5 0.774303 ] [ 0.499118 0.240234 0.77583 ] [ 0.278326 0 0.79562 ] [ 0.721674 0 0.20438 ] [ 0.500882 0.759766 0.22417 ] [ 0.73602 0.5 0.225697 ] [ 0.500882 0.240234 0.22417 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ni" "Ni" "Ni" "Ni" "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" 10.21215661 "source-unit" "angstrom" } "b" { "source-value" 5.75135686 "source-unit" "angstrom" } "c" { "source-value" 5.84460634 "source-unit" "angstrom" } "beta" { "source-value" 123.99321978 "source-unit" "degree" } }