{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.00637 0.239837 0.864457 ] [ 0.773852 0 0.854401 ] [ 0.00637 0.760163 0.864457 ] [ 0.767627 0.5 0.856132 ] [ 0.243708 0.5 0.152453 ] [ 0.993765 0.23091 0.14459 ] [ 0.224856 0 0.140161 ] [ 0.993765 0.76909 0.14459 ] [ 0.50637 0.739837 0.864457 ] [ 0.273852 0.5 0.854401 ] [ 0.50637 0.260163 0.864457 ] [ 0.267627 0 0.856132 ] [ 0.743708 0 0.152453 ] [ 0.493765 0.73091 0.14459 ] [ 0.724856 0.5 0.140161 ] [ 0.493765 0.26909 0.14459 ] [ 0.997373 0.742992 0.491571 ] [ 0.750274 0.5 0.50066 ] [ 0.997373 0.257008 0.491571 ] [ 0.243194 0.5 0.494259 ] [ 0.497373 0.242992 0.491571 ] [ 0.250274 0 0.50066 ] [ 0.497373 0.757008 0.491571 ] [ 0.743194 0 0.494259 ] [ 0.990202 0.5 0.64504 ] [ 0.999733 0 0.999364 ] [ 0.738288 0.247721 0.646569 ] [ 0.261035 0.255337 0.353201 ] [ 0.008528 0 0.354337 ] [ 0.261035 0.744663 0.353201 ] [ 0.738288 0.752279 0.646569 ] [ 0.004746 0.5 0.341961 ] [ 0.490202 0 0.64504 ] [ 0.499733 0.5 0.999364 ] [ 0.238288 0.747721 0.646569 ] [ 0.761035 0.755337 0.353201 ] [ 0.508528 0.5 0.354337 ] [ 0.761035 0.244663 0.353201 ] [ 0.238288 0.252279 0.646569 ] [ 0.504746 0 0.341961 ] [ 0.248181 0.250148 0.997672 ] [ 0.248181 0.749852 0.997672 ] [ 0.000935 0 0.663699 ] [ 0.001128 0.5 0.000361 ] [ 0.748181 0.750148 0.997672 ] [ 0.748181 0.249852 0.997672 ] [ 0.500935 0.5 0.663699 ] [ 0.501128 0 0.000361 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "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" 10.44226996 "source-unit" "angstrom" } "b" { "source-value" 6.00786674 "source-unit" "angstrom" } "c" { "source-value" 8.98532128 "source-unit" "angstrom" } "beta" { "source-value" 125.29163306 "source-unit" "degree" } }