{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.966875 0.71004 0.770085 ] [ 0.466875 0.28996 0.770085 ] [ 0.851671 0.218608 0.659802 ] [ 0.001321 0.749391 0.003187 ] [ 0.66659 0.750199 0.3332 ] [ 0.351671 0.781392 0.659802 ] [ 0.501321 0.250609 0.003187 ] [ 0.16659 0.249801 0.3332 ] [ 0.64555 0.952114 0.690779 ] [ 0.14555 0.047886 0.690779 ] [ 0.980694 0.943576 0.356664 ] [ 0.814217 0.05618 0.024095 ] [ 0.851747 0.444506 0.309378 ] [ 0.957822 0.835091 0.885054 ] [ 0.625027 0.836991 0.220294 ] [ 0.779232 0.171454 0.545135 ] [ 0.704175 0.666642 0.445842 ] [ 0.539281 0.34046 0.115545 ] [ 0.849026 0.356691 0.775547 ] [ 0.480694 0.056424 0.356664 ] [ 0.314217 0.94382 0.024095 ] [ 0.518717 0.452872 0.644173 ] [ 0.687167 0.5533 0.976101 ] [ 0.351747 0.555494 0.309378 ] [ 0.457822 0.164909 0.885054 ] [ 0.125027 0.163009 0.220294 ] [ 0.279232 0.828546 0.545135 ] [ 0.204175 0.333358 0.445842 ] [ 0.039281 0.65954 0.115545 ] [ 0.349026 0.643309 0.775547 ] [ 0.018717 0.547128 0.644173 ] [ 0.187167 0.4467 0.976101 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "V" "V" "V" "V" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.41180847 "source-unit" "angstrom" } "b" { "source-value" 5.24035345 "source-unit" "angstrom" } "c" { "source-value" 15.37962901 "source-unit" "angstrom" } "beta" { "source-value" 100.06828897 "source-unit" "degree" } }