{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.39344 0.848085 0.128193 ] [ 0.589961 0.152436 0.875046 ] [ 0.999321 0.498741 0.001432 ] [ 0.498755 0.001346 0.499987 ] [ 0.110664 0.253227 0.66215 ] [ 0.37256 0.236794 0.157141 ] [ 0.624067 0.755359 0.840298 ] [ 0.885014 0.748947 0.338794 ] [ 0.4559 0.482049 0.601251 ] [ 0.550633 0.509758 0.382068 ] [ 0.956605 0.979321 0.986513 ] [ 0.987844 0.700875 0.168272 ] [ 0.129558 0.842914 0.448722 ] [ 0.179443 0.373238 0.170237 ] [ 0.253721 0.441033 0.576051 ] [ 0.367009 0.660929 0.943727 ] [ 0.54693 0.815124 0.670027 ] [ 0.254018 0.062602 0.053126 ] [ 0.332492 0.135846 0.681244 ] [ 0.664418 0.867031 0.318159 ] [ 0.749256 0.937513 0.946449 ] [ 0.45066 0.189402 0.333562 ] [ 0.636343 0.342506 0.06003 ] [ 0.739372 0.562558 0.428114 ] [ 0.828335 0.629442 0.829508 ] [ 0.867125 0.158716 0.55126 ] [ 0.003082 0.297273 0.832796 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "P" "P" "P" "P" "H" "H" "H" "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" 4.90246671 "source-unit" "angstrom" } "b" { "source-value" 7.47102932 "source-unit" "angstrom" } "c" { "source-value" 8.07367603 "source-unit" "angstrom" } "alpha" { "source-value" 89.95316548 "source-unit" "degree" } "beta" { "source-value" 90.88218645 "source-unit" "degree" } "gamma" { "source-value" 103.48804126 "source-unit" "degree" } }