{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.137075 0.745927 ] [ 0.75 0.637075 0.754073 ] [ 0.75 0.114959 0.414449 ] [ 0.75 0.614959 0.085551 ] [ 0.25 0.385041 0.914449 ] [ 0.25 0.885041 0.585551 ] [ 0.25 0.362925 0.245927 ] [ 0.25 0.862925 0.254073 ] [ 0.75 0.113383 0.097997 ] [ 0.75 0.613383 0.402003 ] [ 0.25 0.386617 0.597997 ] [ 0.25 0.886617 0.902003 ] [ 0.75 0.394395 0.573852 ] [ 0.75 0.894395 0.926148 ] [ 0.75 0.349078 0.241919 ] [ 0.75 0.849078 0.258081 ] [ 0.25 0.150922 0.741919 ] [ 0.25 0.650922 0.758081 ] [ 0.25 0.105605 0.073852 ] [ 0.25 0.605605 0.426148 ] [ 0.75 0.382529 0.920888 ] [ 0.75 0.882529 0.579112 ] [ 0.25 0.117471 0.420888 ] [ 0.25 0.617471 0.079112 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.07361014 "source-unit" "angstrom" } "b" { "source-value" 5.9259658 "source-unit" "angstrom" } "c" { "source-value" 8.93285264 "source-unit" "angstrom" } }