{ "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" [ [ 0.47402 0.851401 0.818568 ] [ 0.02598 0.351401 0.681432 ] [ 0.97402 0.648599 0.318568 ] [ 0.52598 0.148599 0.181432 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.964623 0.674358 0.818679 ] [ 0.535377 0.174358 0.681321 ] [ 0.464623 0.825642 0.318679 ] [ 0.035377 0.325642 0.181321 ] [ 0.834286 0.618692 0.0107 ] [ 0.654496 0.095302 0.885932 ] [ 0.283243 0.653941 0.836744 ] [ 0.89572 0.839979 0.799861 ] [ 0.60428 0.339979 0.700139 ] [ 0.216757 0.153941 0.663256 ] [ 0.845504 0.595302 0.614068 ] [ 0.334286 0.881308 0.5107 ] [ 0.665714 0.118692 0.4893 ] [ 0.154496 0.404698 0.385932 ] [ 0.783243 0.846059 0.336744 ] [ 0.39572 0.660021 0.299861 ] [ 0.10428 0.160021 0.200139 ] [ 0.716757 0.346059 0.163256 ] [ 0.345504 0.904698 0.114068 ] [ 0.165714 0.381308 0.9893 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 4.87457946694 "source-unit" "angstrom" } "b" { "source-value" 9.25373094 "source-unit" "angstrom" } "c" { "source-value" 6.4548823575 "source-unit" "angstrom" } "beta" { "source-value" 96.8720179286 "source-unit" "degree" } }