{ "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" [ [ 0.761667 0.480667 0.17625 ] [ 0.761667 0.019333 0.17625 ] [ 0.238333 0.519333 0.82375 ] [ 0.238333 0.980667 0.82375 ] [ 0.272903 0.75 0.43004 ] [ 0.727097 0.25 0.56996 ] [ 0.26538 0.25 0.056487 ] [ 0.73462 0.75 0.943513 ] [ 0.212912 0.25 0.335492 ] [ 0.787088 0.75 0.664508 ] [ 0.705001 0.75 0.08807 ] [ 0.026676 0.25 0.128876 ] [ 0.472519 0.25 0.172648 ] [ 0.186684 0.946067 0.324481 ] [ 0.186684 0.553933 0.324481 ] [ 0.859765 0.25 0.408774 ] [ 0.587524 0.75 0.471088 ] [ 0.412476 0.25 0.528912 ] [ 0.140235 0.75 0.591226 ] [ 0.813316 0.446067 0.675519 ] [ 0.813316 0.053933 0.675519 ] [ 0.527481 0.75 0.827352 ] [ 0.973324 0.75 0.871124 ] [ 0.294999 0.25 0.91193 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "B" "B" "Sb" "Sb" "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" 5.20318019 "source-unit" "angstrom" } "b" { "source-value" 6.46768873 "source-unit" "angstrom" } "c" { "source-value" 9.01038631 "source-unit" "angstrom" } "beta" { "source-value" 93.39491657 "source-unit" "degree" } }