{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.415135 0.259626 0.120791 ] [ 0.098277 0.736222 0.124324 ] [ 0.584865 0.759626 0.879209 ] [ 0.901723 0.236222 0.875676 ] [ 0.117481 0.756236 0.61502 ] [ 0.393778 0.249648 0.62588 ] [ 0.606222 0.749648 0.37412 ] [ 0.882519 0.256236 0.38498 ] [ 0.358159 0.923663 0.015026 ] [ 0.139196 0.411268 0.009353 ] [ 0.641841 0.423663 0.984974 ] [ 0.860804 0.911268 0.990647 ] [ 0.635328 0.076155 0.757115 ] [ 0.360298 0.579731 0.73848 ] [ 0.14305 0.074109 0.736762 ] [ 0.362214 0.925881 0.504655 ] [ 0.139265 0.424574 0.506026 ] [ 0.637786 0.425881 0.495345 ] [ 0.860735 0.924574 0.493974 ] [ 0.639702 0.079731 0.26152 ] [ 0.85695 0.574109 0.263238 ] [ 0.364672 0.576155 0.242885 ] [ 0.873171 0.582885 0.751302 ] [ 0.126829 0.082885 0.248698 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.49458435 "source-unit" "angstrom" } "b" { "source-value" 4.96775747 "source-unit" "angstrom" } "c" { "source-value" 8.95244408 "source-unit" "angstrom" } "beta" { "source-value" 91.34380413 "source-unit" "degree" } }