{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.009713 0 0.668985 ] [ 0.990287 0 0.331015 ] [ 0.486932 0.5 0.829331 ] [ 0.5 0.5 0.5 ] [ 0.513068 0.5 0.170669 ] [ 0.69874 0 0.232898 ] [ 0.30126 0 0.767102 ] [ 0.802205 0.5 0.731306 ] [ 0.804247 0.5 0.400589 ] [ 0.802642 0.5 0.064728 ] [ 0.695096 0 0.896883 ] [ 0.69875 0 0.56739 ] [ 0.30125 0 0.43261 ] [ 0.304904 0 0.103117 ] [ 0.197358 0.5 0.935272 ] [ 0.195753 0.5 0.599411 ] [ 0.197795 0.5 0.268694 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.69517942 "source-unit" "angstrom" } "b" { "source-value" 3.09224314 "source-unit" "angstrom" } "c" { "source-value" 14.08967361 "source-unit" "angstrom" } "beta" { "source-value" 91.03443579 "source-unit" "degree" } }