{ "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" [ [ 0.669886 0 0.334552 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.830114 0.5 0.665448 ] [ 0.169886 0.5 0.334552 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.330114 0 0.665448 ] [ 0.664009 0.5 0.84415 ] [ 0.835991 0 0.15585 ] [ 0.164009 0 0.84415 ] [ 0.335991 0.5 0.15585 ] [ 0.745384 0 0.762297 ] [ 0.754616 0.5 0.237703 ] [ 0.913963 0.5 0.091563 ] [ 0.586037 0 0.908437 ] [ 0.245384 0.5 0.762297 ] [ 0.254616 0 0.237703 ] [ 0.413963 0 0.091563 ] [ 0.086037 0.5 0.908437 ] [ 0.585391 0.5 0.426205 ] [ 0.914609 0 0.573795 ] [ 0.085391 0 0.426205 ] [ 0.414609 0.5 0.573795 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.45718729 "source-unit" "angstrom" } "b" { "source-value" 2.94332976 "source-unit" "angstrom" } "c" { "source-value" 5.19506813 "source-unit" "angstrom" } "beta" { "source-value" 108.38458881 "source-unit" "degree" } }