{ "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" [ [ 0.301761 0.000333 0.143693 ] [ 0.779921 0.748058 0.637442 ] [ 0.698239 0.500333 0.356307 ] [ 0.220079 0.248058 0.862558 ] [ 0.779921 0.751942 0.137442 ] [ 0.301761 0.499667 0.643693 ] [ 0.220079 0.251942 0.362558 ] [ 0.698239 0.999667 0.856307 ] [ 0.385322 0.746619 0.311067 ] [ 0.345616 0.486983 0.067314 ] [ 0.654384 0.986983 0.432686 ] [ 0.614678 0.246619 0.188933 ] [ 0.385322 0.753381 0.811067 ] [ 0.345616 0.013017 0.567314 ] [ 0.654384 0.513017 0.932686 ] [ 0.614678 0.253381 0.688933 ] [ 0.119927 0.7147 0.94979 ] [ 0.880073 0.2147 0.55021 ] [ 0.119927 0.7853 0.44979 ] [ 0.880073 0.2853 0.05021 ] [ 0.273796 0.688439 0.12656 ] [ 0.234838 0.296362 0.113274 ] [ 0.726381 0.07211 0.615813 ] [ 0.767479 0.385764 0.592648 ] [ 0.765162 0.796362 0.386726 ] [ 0.726204 0.188439 0.37344 ] [ 0.232521 0.885764 0.907352 ] [ 0.273619 0.57211 0.884187 ] [ 0.726381 0.42789 0.115813 ] [ 0.767479 0.114236 0.092648 ] [ 0.273796 0.811561 0.62656 ] [ 0.234838 0.203638 0.613274 ] [ 0.232521 0.614236 0.407352 ] [ 0.273619 0.92789 0.384187 ] [ 0.765162 0.703638 0.886726 ] [ 0.726204 0.311561 0.87344 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "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" 5.46513884 "source-unit" "angstrom" } "b" { "source-value" 9.0455243 "source-unit" "angstrom" } "c" { "source-value" 11.07352458 "source-unit" "angstrom" } "beta" { "source-value" 112.09586769 "source-unit" "degree" } }