{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cccm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.25 0.25 0.5 ] [ 0 0.640275 0.25 ] [ 0 0.359725 0.75 ] [ 0 0.640275 0.75 ] [ 0 0.359725 0.25 ] [ 0.5 0.140275 0.25 ] [ 0.5 0.859725 0.75 ] [ 0.5 0.140275 0.75 ] [ 0.5 0.859725 0.25 ] [ 0.274446 0.103424 0 ] [ 0.274446 0.896576 0.5 ] [ 0.725554 0.896576 0 ] [ 0.725554 0.103424 0.5 ] [ 0.774446 0.603424 0 ] [ 0.774446 0.396576 0.5 ] [ 0.225554 0.396576 0 ] [ 0.225554 0.603424 0.5 ] [ 0.323529 0 0.25 ] [ 0.323529 0 0.75 ] [ 0.930855 0.228607 0.5 ] [ 0.930855 0.771393 0 ] [ 0.069145 0.228607 0 ] [ 0.069145 0.771393 0.5 ] [ 0.676471 0 0.75 ] [ 0.676471 0 0.25 ] [ 0.823529 0.5 0.25 ] [ 0.823529 0.5 0.75 ] [ 0.430855 0.728607 0.5 ] [ 0.430855 0.271393 0 ] [ 0.569145 0.728607 0 ] [ 0.569145 0.271393 0.5 ] [ 0.176471 0.5 0.75 ] [ 0.176471 0.5 0.25 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 8.98544698 "source-unit" "angstrom" } "b" { "source-value" 9.25587784 "source-unit" "angstrom" } "c" { "source-value" 6.99993449 "source-unit" "angstrom" } }