{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.074713 0 ] [ 0.5 0.574713 0 ] [ 0 0.922716 0.5 ] [ 0 0.585073 0.5 ] [ 0 0.413641 0 ] [ 0.242435 0.246995 0.241869 ] [ 0.757565 0.246995 0.758131 ] [ 0.5 0.422716 0.5 ] [ 0.5 0.085073 0.5 ] [ 0.5 0.913641 0 ] [ 0.742435 0.746995 0.241869 ] [ 0.257565 0.746995 0.758131 ] [ 0 0.743669 0 ] [ 0 0.2548 0.5 ] [ 0.5 0.243669 0 ] [ 0.5 0.7548 0.5 ] [ 0.065031 0.755758 0.376222 ] [ 0.841993 0.093035 0.601895 ] [ 0.934969 0.755758 0.623778 ] [ 0.621436 0.089382 0.897101 ] [ 0.843157 0.892603 0.099639 ] [ 0.378564 0.089382 0.102899 ] [ 0.657677 0.91757 0.400468 ] [ 0.158007 0.093035 0.398105 ] [ 0.342323 0.91757 0.599532 ] [ 0.065351 0.259005 0.868725 ] [ 0.156843 0.892603 0.900361 ] [ 0.934649 0.259005 0.131275 ] [ 0.565031 0.255758 0.376222 ] [ 0.341993 0.593035 0.601895 ] [ 0.434969 0.255758 0.623778 ] [ 0.121436 0.589382 0.897101 ] [ 0.343157 0.392603 0.099639 ] [ 0.878564 0.589382 0.102899 ] [ 0.157677 0.41757 0.400468 ] [ 0.658007 0.593035 0.398105 ] [ 0.842323 0.41757 0.599532 ] [ 0.565351 0.759005 0.868725 ] [ 0.656843 0.392603 0.900361 ] [ 0.434649 0.759005 0.131275 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.38713244 "source-unit" "angstrom" } "b" { "source-value" 8.66805388 "source-unit" "angstrom" } "c" { "source-value" 9.64478343 "source-unit" "angstrom" } "beta" { "source-value" 97.21483364 "source-unit" "degree" } }