{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.616238 0.43123 0.480205 ] [ 0.616238 0.06877 0.980205 ] [ 0.383762 0.93123 0.019795 ] [ 0.383762 0.56877 0.519795 ] [ 0.007066 0.646352 0.099584 ] [ 0.793655 0.388134 0.105327 ] [ 0.007066 0.853648 0.599584 ] [ 0.790866 0.879463 0.29352 ] [ 0.793655 0.111866 0.605327 ] [ 0.603216 0.119112 0.310666 ] [ 0.790866 0.620537 0.79352 ] [ 0.622599 0.867449 0.483205 ] [ 0.377401 0.367449 0.016795 ] [ 0.396784 0.619112 0.189334 ] [ 0.603216 0.380888 0.810666 ] [ 0.622599 0.632551 0.983205 ] [ 0.377401 0.132551 0.516795 ] [ 0.209134 0.379463 0.20648 ] [ 0.396784 0.880888 0.689334 ] [ 0.206345 0.888134 0.394673 ] [ 0.209134 0.120537 0.70648 ] [ 0.992934 0.146352 0.400416 ] [ 0.206345 0.611866 0.894673 ] [ 0.992934 0.353648 0.900416 ] [ 0.989243 0.269748 0.078076 ] [ 0.993095 0.994618 0.265471 ] [ 0.989243 0.230252 0.578076 ] [ 0.799144 0.750896 0.127688 ] [ 0.782236 0.256387 0.270652 ] [ 0.993095 0.505382 0.765471 ] [ 0.592233 0.500072 0.143818 ] [ 0.604319 0.996677 0.151661 ] [ 0.799144 0.749104 0.627688 ] [ 0.605925 0.746964 0.318532 ] [ 0.782236 0.243613 0.770652 ] [ 0.398127 0.738304 0.019161 ] [ 0.601873 0.238304 0.480839 ] [ 0.592233 0.999928 0.643818 ] [ 0.394075 0.246964 0.181468 ] [ 0.604319 0.503323 0.651661 ] [ 0.395681 0.496677 0.348339 ] [ 0.605925 0.753036 0.818532 ] [ 0.407767 0.000072 0.356182 ] [ 0.398127 0.761696 0.519161 ] [ 0.601873 0.261696 0.980839 ] [ 0.217764 0.756387 0.229348 ] [ 0.394075 0.253036 0.681468 ] [ 0.200856 0.250896 0.372312 ] [ 0.395681 0.003323 0.848339 ] [ 0.407767 0.499928 0.856182 ] [ 0.006905 0.494618 0.234529 ] [ 0.217764 0.743613 0.729348 ] [ 0.200856 0.249104 0.872312 ] [ 0.010757 0.769748 0.421924 ] [ 0.006905 0.005382 0.734529 ] [ 0.010757 0.730252 0.921924 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.20879601 "source-unit" "angstrom" } "b" { "source-value" 9.76951933 "source-unit" "angstrom" } "c" { "source-value" 10.30486306 "source-unit" "angstrom" } "beta" { "source-value" 109.82301014 "source-unit" "degree" } }