{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.928877 0.384279 0.365723 ] [ 0.687204 0.885403 0.866068 ] [ 0.180075 0.129034 0.359841 ] [ 0.928877 0.615721 0.865723 ] [ 0.687204 0.114597 0.366068 ] [ 0.180075 0.870966 0.859841 ] [ 0.055543 0.390571 0.12497 ] [ 0.055543 0.609429 0.62497 ] [ 0.428877 0.884279 0.365723 ] [ 0.187204 0.385403 0.866068 ] [ 0.680075 0.629034 0.359841 ] [ 0.428877 0.115721 0.865723 ] [ 0.187204 0.614597 0.366068 ] [ 0.680075 0.370966 0.859841 ] [ 0.555543 0.890571 0.12497 ] [ 0.555543 0.109429 0.62497 ] [ 0.037063 0.155846 0.613317 ] [ 0.037063 0.844154 0.113317 ] [ 0.971288 0.143333 0.901326 ] [ 0.971288 0.856667 0.401326 ] [ 0.537063 0.655846 0.613317 ] [ 0.537063 0.344154 0.113317 ] [ 0.471288 0.643333 0.901326 ] [ 0.471288 0.356667 0.401326 ] [ 0.951098 0.885419 0.903771 ] [ 0.055713 0.359061 0.617023 ] [ 0.951098 0.114581 0.403771 ] [ 0.166925 0.876879 0.352085 ] [ 0.947594 0.351469 0.892241 ] [ 0.166925 0.123121 0.852085 ] [ 0.841271 0.877825 0.147823 ] [ 0.055713 0.640939 0.117023 ] [ 0.841271 0.122175 0.647823 ] [ 0.057802 0.88202 0.602093 ] [ 0.947594 0.648531 0.392241 ] [ 0.057802 0.11798 0.102093 ] [ 0.451098 0.385419 0.903771 ] [ 0.555713 0.859061 0.617023 ] [ 0.451098 0.614581 0.403771 ] [ 0.666925 0.376879 0.352085 ] [ 0.447594 0.851469 0.892241 ] [ 0.666925 0.623121 0.852085 ] [ 0.341271 0.377825 0.147823 ] [ 0.555713 0.140939 0.117023 ] [ 0.341271 0.622175 0.647823 ] [ 0.557802 0.38202 0.602093 ] [ 0.447594 0.148531 0.392241 ] [ 0.557802 0.61798 0.102093 ] [ 0.692383 0.123306 0.855121 ] [ 0.2999 0.122727 0.635787 ] [ 0.692383 0.876694 0.355121 ] [ 0.2999 0.877273 0.135787 ] [ 0.192383 0.623306 0.855121 ] [ 0.7999 0.622727 0.635787 ] [ 0.192383 0.376694 0.355121 ] [ 0.7999 0.377273 0.135787 ] ] } "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" "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" 8.03332474 "source-unit" "angstrom" } "b" { "source-value" 8.29828792 "source-unit" "angstrom" } "c" { "source-value" 9.29788477 "source-unit" "angstrom" } "beta" { "source-value" 114.33673721 "source-unit" "degree" } }