{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_332" } "basis-atom-coordinates" { "source-value" [ [ 0.742715 0.742715 0.742715 ] [ 0.507285 0.507285 0.507285 ] [ 0.492715 0.007285 0.992715 ] [ 0.257285 0.242715 0.757285 ] [ 0.242715 0.757285 0.257285 ] [ 0.007285 0.992715 0.492715 ] [ 0.992715 0.492715 0.007285 ] [ 0.757285 0.257285 0.242715 ] [ 0.626959 0.125 0.623041 ] [ 0.625 0.876959 0.373041 ] [ 0.623041 0.626959 0.125 ] [ 0.376959 0.126959 0.375 ] [ 0.375 0.376959 0.126959 ] [ 0.373041 0.625 0.876959 ] [ 0.126959 0.375 0.376959 ] [ 0.125 0.623041 0.626959 ] [ 0.123041 0.873041 0.875 ] [ 0.876959 0.373041 0.625 ] [ 0.875 0.123041 0.873041 ] [ 0.873041 0.875 0.123041 ] [ 0.625 0.375 0.875 ] [ 0.375 0.875 0.625 ] [ 0.125 0.125 0.125 ] [ 0.875 0.625 0.375 ] [ 0.646553 0.377783 0.641376 ] [ 0.622217 0.141376 0.853447 ] [ 0.640849 0.859151 0.140849 ] [ 0.608624 0.872217 0.603447 ] [ 0.641376 0.646553 0.377783 ] [ 0.609151 0.109151 0.390849 ] [ 0.627783 0.396553 0.108624 ] [ 0.603447 0.608624 0.872217 ] [ 0.396553 0.108624 0.627783 ] [ 0.372217 0.896553 0.391376 ] [ 0.390849 0.609151 0.109151 ] [ 0.358624 0.146553 0.122217 ] [ 0.391376 0.372217 0.896553 ] [ 0.359151 0.359151 0.359151 ] [ 0.377783 0.641376 0.646553 ] [ 0.353447 0.877783 0.858624 ] [ 0.146553 0.122217 0.358624 ] [ 0.122217 0.358624 0.146553 ] [ 0.140849 0.640849 0.859151 ] [ 0.108624 0.627783 0.396553 ] [ 0.141376 0.853447 0.622217 ] [ 0.109151 0.390849 0.609151 ] [ 0.127783 0.103447 0.891376 ] [ 0.103447 0.891376 0.127783 ] [ 0.896553 0.391376 0.372217 ] [ 0.872217 0.603447 0.608624 ] [ 0.890849 0.890849 0.890849 ] [ 0.858624 0.353447 0.877783 ] [ 0.891376 0.127783 0.103447 ] [ 0.859151 0.140849 0.640849 ] [ 0.877783 0.858624 0.353447 ] [ 0.853447 0.622217 0.141376 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.63445156 "source-unit" "angstrom" } }