{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.99354 0.752421 0.245194 ] [ 0.020382 0.410778 0.234519 ] [ 0.020382 0.589222 0.734519 ] [ 0.99354 0.247579 0.745194 ] [ 0.49354 0.252421 0.245194 ] [ 0.520382 0.910778 0.234519 ] [ 0.520382 0.089222 0.734519 ] [ 0.49354 0.747579 0.745194 ] [ 0.978863 0.098295 0.249765 ] [ 0.978863 0.901705 0.749765 ] [ 0.478863 0.598295 0.249765 ] [ 0.478863 0.401705 0.749765 ] [ 0.779221 0.065182 0.503859 ] [ 0.779221 0.934818 0.003859 ] [ 0.231986 0.761208 0.990699 ] [ 0.231986 0.238792 0.490699 ] [ 0.279221 0.565182 0.503859 ] [ 0.279221 0.434818 0.003859 ] [ 0.731986 0.261208 0.990699 ] [ 0.731986 0.738792 0.490699 ] [ 0.246008 0.091114 0.025965 ] [ 0.246008 0.908886 0.525965 ] [ 0.746008 0.591114 0.025965 ] [ 0.746008 0.408886 0.525965 ] ] } "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" 5.16445227 "source-unit" "angstrom" } "b" { "source-value" 8.9289449 "source-unit" "angstrom" } "c" { "source-value" 5.15982034 "source-unit" "angstrom" } "beta" { "source-value" 110.50281036 "source-unit" "degree" } }