{ "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" [ [ 0.703245 0.978054 0.214979 ] [ 0.703245 0.521946 0.714979 ] [ 0.296755 0.478054 0.285021 ] [ 0.296755 0.021946 0.785021 ] [ 0.73879 0.506414 0.252409 ] [ 0.73879 0.993586 0.752409 ] [ 0.26121 0.006414 0.247591 ] [ 0.26121 0.493586 0.747591 ] [ 0.918437 0.75863 0.04405 ] [ 0.918437 0.74137 0.54405 ] [ 0.669526 0.21188 0.451554 ] [ 0.330474 0.71188 0.048446 ] [ 0.669526 0.28812 0.951554 ] [ 0.330474 0.78812 0.548446 ] [ 0.081563 0.25863 0.45595 ] [ 0.081563 0.24137 0.95595 ] [ 0.967661 0.919671 0.136657 ] [ 0.808147 0.632904 0.101326 ] [ 0.967661 0.580329 0.636657 ] [ 0.877159 0.164784 0.435002 ] [ 0.68858 0.299977 0.11364 ] [ 0.813447 0.714393 0.377951 ] [ 0.808147 0.867096 0.601326 ] [ 0.614719 0.391059 0.394234 ] [ 0.877159 0.335216 0.935002 ] [ 0.456173 0.579254 0.153871 ] [ 0.68858 0.200023 0.61364 ] [ 0.813447 0.785607 0.877951 ] [ 0.543827 0.079254 0.346129 ] [ 0.385281 0.891059 0.105766 ] [ 0.614719 0.108941 0.894234 ] [ 0.456173 0.920746 0.653871 ] [ 0.186553 0.214393 0.122049 ] [ 0.31142 0.799977 0.38636 ] [ 0.543827 0.420746 0.846129 ] [ 0.122841 0.664784 0.064998 ] [ 0.385281 0.608941 0.605766 ] [ 0.191853 0.132904 0.398674 ] [ 0.186553 0.285607 0.622049 ] [ 0.31142 0.700023 0.88636 ] [ 0.122841 0.835216 0.564998 ] [ 0.032339 0.419671 0.363343 ] [ 0.191853 0.367096 0.898674 ] [ 0.032339 0.080329 0.863343 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "P" "P" "P" "P" "P" "P" "P" "P" "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" 7.2938591 "source-unit" "angstrom" } "b" { "source-value" 8.01056678 "source-unit" "angstrom" } "c" { "source-value" 9.68414692 "source-unit" "angstrom" } "beta" { "source-value" 110.55879024 "source-unit" "degree" } }