{ "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 0.5 0 ] [ 0.835967 0 0.662928 ] [ 0.664033 0.5 0.337072 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.335967 0.5 0.662928 ] [ 0.164033 0 0.337072 ] [ 0.843533 0 0.178989 ] [ 0.656467 0.5 0.821011 ] [ 0.343533 0.5 0.178989 ] [ 0.156467 0 0.821011 ] [ 0.831438 0.5 0.390961 ] [ 0.674162 0 0.064787 ] [ 0.668562 0 0.609039 ] [ 0.012142 0 0.759494 ] [ 0.987858 0 0.240506 ] [ 0.825838 0.5 0.935213 ] [ 0.331438 0 0.390961 ] [ 0.174162 0.5 0.064787 ] [ 0.168562 0.5 0.609039 ] [ 0.512142 0.5 0.759494 ] [ 0.487858 0.5 0.240506 ] [ 0.325838 0 0.935213 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "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" 12.62435406 "source-unit" "angstrom" } "b" { "source-value" 2.96850211 "source-unit" "angstrom" } "c" { "source-value" 5.97389404 "source-unit" "angstrom" } "beta" { "source-value" 104.34075578 "source-unit" "degree" } }