{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.833123 0 0.664322 ] [ 0.666877 0.5 0.335678 ] [ 0.5 0 0 ] [ 0.333123 0.5 0.664322 ] [ 0.166877 0 0.335678 ] [ 0.83261 0 0.173587 ] [ 0.66739 0.5 0.826413 ] [ 0.33261 0.5 0.173587 ] [ 0.16739 0 0.826413 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.841152 0.5 0.416881 ] [ 0.673594 0 0.080711 ] [ 0.658848 0 0.583119 ] [ 0.007722 0 0.729743 ] [ 0.992278 0 0.270257 ] [ 0.826406 0.5 0.919289 ] [ 0.341152 0 0.416881 ] [ 0.173594 0.5 0.080711 ] [ 0.158848 0.5 0.583119 ] [ 0.507722 0.5 0.729743 ] [ 0.492278 0.5 0.270257 ] [ 0.326406 0 0.919289 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "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" 12.56602906 "source-unit" "angstrom" } "b" { "source-value" 3.00524024 "source-unit" "angstrom" } "c" { "source-value" 6.0020266 "source-unit" "angstrom" } "beta" { "source-value" 104.64291002 "source-unit" "degree" } }