{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.254439 0.75 0.087662 ] [ 0.747711 0.006877 0.235286 ] [ 0.747711 0.493123 0.235286 ] [ 0.252289 0.506877 0.764714 ] [ 0.252289 0.993123 0.764714 ] [ 0.745561 0.25 0.912338 ] [ 0.209437 0.25 0.326059 ] [ 0.790563 0.75 0.673941 ] [ 0.282654 0.25 0.044014 ] [ 0.717346 0.75 0.955986 ] [ 0.277432 0.75 0.418279 ] [ 0.722568 0.25 0.581721 ] [ 0.657628 0.75 0.109861 ] [ 0.025628 0.25 0.097991 ] [ 0.484302 0.25 0.171073 ] [ 0.187103 0.937341 0.308602 ] [ 0.187103 0.562659 0.308602 ] [ 0.584616 0.75 0.455856 ] [ 0.852662 0.25 0.421715 ] [ 0.147338 0.75 0.578285 ] [ 0.415384 0.25 0.544144 ] [ 0.812897 0.437341 0.691398 ] [ 0.812897 0.062659 0.691398 ] [ 0.515698 0.75 0.828927 ] [ 0.974372 0.75 0.902009 ] [ 0.342372 0.25 0.890139 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "B" "B" "P" "P" "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" 5.02519406 "source-unit" "angstrom" } "b" { "source-value" 6.38249642 "source-unit" "angstrom" } "c" { "source-value" 8.38070448 "source-unit" "angstrom" } "beta" { "source-value" 94.87567841 "source-unit" "degree" } }