{ "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" [ [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.769609 0.5 0.749677 ] [ 0.994474 0.258385 0.236662 ] [ 0.994474 0.741615 0.236662 ] [ 0.751154 0 0.73217 ] [ 0.248846 0 0.26783 ] [ 0.005526 0.258385 0.763338 ] [ 0.005526 0.741615 0.763338 ] [ 0.230391 0.5 0.250323 ] [ 0.269609 0 0.749677 ] [ 0.494474 0.758385 0.236662 ] [ 0.494474 0.241615 0.236662 ] [ 0.251154 0.5 0.73217 ] [ 0.748846 0.5 0.26783 ] [ 0.505526 0.758385 0.763338 ] [ 0.505526 0.241615 0.763338 ] [ 0.730391 0 0.250323 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cr" "Cr" "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" 10.74390117 "source-unit" "angstrom" } "b" { "source-value" 5.99025019 "source-unit" "angstrom" } "c" { "source-value" 5.99862214 "source-unit" "angstrom" } "beta" { "source-value" 123.73046997 "source-unit" "degree" } }