{ "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" [ [ 0.157159 0.139285 0.391151 ] [ 0.157159 0.860715 0.891151 ] [ 0.211072 0.397722 0.918825 ] [ 0.211072 0.602278 0.418825 ] [ 0.366056 0.888818 0.096452 ] [ 0.366056 0.111182 0.596452 ] [ 0.351964 0.118655 0.853947 ] [ 0.351964 0.881345 0.353947 ] [ 0.354201 0.350987 0.320676 ] [ 0.354201 0.649013 0.820676 ] [ 0.403042 0.142999 0.127219 ] [ 0.403042 0.857001 0.627219 ] [ 0.551824 0.640613 0.38163 ] [ 0.551824 0.359387 0.88163 ] [ 0.644657 0.160274 0.681526 ] [ 0.644657 0.839726 0.181526 ] [ 0.630581 0.600124 0.633718 ] [ 0.630581 0.399876 0.133718 ] [ 0.642737 0.622947 0.905748 ] [ 0.642737 0.377053 0.405748 ] [ 0.664158 0.133195 0.102954 ] [ 0.664158 0.866805 0.602954 ] [ 0.907124 0.644675 0.080313 ] [ 0.907124 0.355325 0.580313 ] [ 0.869802 0.879268 0.399073 ] [ 0.869802 0.120732 0.899073 ] [ 0.897755 0.099572 0.638466 ] [ 0.897755 0.900428 0.138466 ] [ 0.945665 0.616099 0.681868 ] [ 0.945665 0.383901 0.181868 ] [ 0.900111 0.129652 0.359643 ] [ 0.900111 0.870348 0.859643 ] [ 0.128063 0.1101 0.106152 ] [ 0.128063 0.8899 0.606152 ] [ 0.378276 0.62174 0.119532 ] [ 0.378276 0.37826 0.619532 ] [ 0.620678 0.102514 0.384053 ] [ 0.620678 0.897486 0.884053 ] [ 0.85473 0.613137 0.380482 ] [ 0.85473 0.386863 0.880482 ] [ 0.007634 0.009226 0.495601 ] [ 0.007634 0.990774 0.995601 ] [ 0.023785 0.209787 0.234891 ] [ 0.023785 0.790213 0.734891 ] [ 0.253792 0.215397 0.001234 ] [ 0.253792 0.784603 0.501234 ] [ 0.262968 0.019512 0.220183 ] [ 0.262968 0.980488 0.720183 ] [ 0.280638 0.516244 0.244434 ] [ 0.280638 0.483756 0.744434 ] [ 0.281527 0.736553 0.991646 ] [ 0.281527 0.263447 0.491646 ] [ 0.473895 0.758546 0.23109 ] [ 0.473895 0.241454 0.73109 ] [ 0.50568 0.485536 0.509633 ] [ 0.50568 0.514464 0.009633 ] [ 0.513864 0.008521 0.003428 ] [ 0.513864 0.991479 0.503428 ] [ 0.538164 0.232607 0.260666 ] [ 0.538164 0.767393 0.760666 ] [ 0.746649 0.204514 0.495913 ] [ 0.746649 0.795486 0.995913 ] [ 0.744974 0.003914 0.268299 ] [ 0.744974 0.996086 0.768299 ] [ 0.753635 0.484388 0.273439 ] [ 0.753635 0.515612 0.773439 ] [ 0.729989 0.722314 0.487822 ] [ 0.729989 0.277686 0.987822 ] [ 0.930958 0.743563 0.258988 ] [ 0.930958 0.256437 0.758988 ] [ 0.979192 0.476318 0.002779 ] [ 0.979192 0.523682 0.502779 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 9.20675571 "source-unit" "angstrom" } "b" { "source-value" 9.54164582 "source-unit" "angstrom" } "c" { "source-value" 9.3103771 "source-unit" "angstrom" } "beta" { "source-value" 90.64750512 "source-unit" "degree" } }