{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.292517 0.5 0.008804 ] [ 0.339279 0.5 0.641505 ] [ 0.365303 0.5 0.349764 ] [ 0.792835 0.5 0.508731 ] [ 0.841044 0.5 0.142277 ] [ 0.867053 0.5 0.849069 ] [ 0.173671 0 0.186028 ] [ 0.191375 0 0.820136 ] [ 0.634718 0 0.994179 ] [ 0.674262 0 0.685907 ] [ 0.692087 0 0.320118 ] [ 0.137853 0 0.495963 ] [ 0.000683 0.5 0.334826 ] [ 0.000007 0 0.000029 ] [ 0.0011 0.5 0.665477 ] [ 0.499808 0.5 0.833139 ] [ 0.498979 0 0.499308 ] [ 0.499891 0.5 0.166688 ] [ 0.013054 0.5 0.568598 ] [ 0.015242 0.5 0.237655 ] [ 0.137255 0.5 0.391303 ] [ 0.139869 0.5 0.720016 ] [ 0.154325 0 0.039128 ] [ 0.347761 0.5 0.874573 ] [ 0.349742 0.5 0.209855 ] [ 0.36104 0 0.555988 ] [ 0.481524 0 0.402729 ] [ 0.510302 0.5 0.069798 ] [ 0.51391 0.5 0.736116 ] [ 0.638171 0.5 0.888501 ] [ 0.639837 0.5 0.220167 ] [ 0.652245 0 0.53948 ] [ 0.847234 0.5 0.374999 ] [ 0.850367 0.5 0.708298 ] [ 0.864277 0 0.057732 ] [ 0.981375 0 0.903115 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.2796922 "source-unit" "angstrom" } "b" { "source-value" 3.1833065 "source-unit" "angstrom" } "c" { "source-value" 14.31593546 "source-unit" "angstrom" } "beta" { "source-value" 90.0369706 "source-unit" "degree" } }