{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.841356 0.241249 0.14499 ] [ 0.341356 0.258751 0.14499 ] [ 0.658644 0.741249 0.85501 ] [ 0.158644 0.758751 0.85501 ] [ 0.682327 0.743063 0.31704 ] [ 0.182327 0.756937 0.31704 ] [ 0.817673 0.243063 0.68296 ] [ 0.317673 0.256937 0.68296 ] [ 0.696425 0.914558 0.09216 ] [ 0.196425 0.585442 0.09216 ] [ 0.588146 0.428626 0.19774 ] [ 0.088146 0.071374 0.19774 ] [ 0.437443 0.904046 0.315371 ] [ 0.80127 0.069272 0.441117 ] [ 0.937443 0.595954 0.315371 ] [ 0.30127 0.430728 0.441117 ] [ 0.69873 0.569272 0.558883 ] [ 0.062557 0.404046 0.684629 ] [ 0.19873 0.930728 0.558883 ] [ 0.562557 0.095954 0.684629 ] [ 0.911854 0.928626 0.80226 ] [ 0.411854 0.571374 0.80226 ] [ 0.803575 0.414558 0.90784 ] [ 0.303575 0.085442 0.90784 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.37307651 "source-unit" "angstrom" } "b" { "source-value" 5.08075838 "source-unit" "angstrom" } "c" { "source-value" 7.47995152 "source-unit" "angstrom" } "beta" { "source-value" 101.51716596 "source-unit" "degree" } }