{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.982234 0.249827 0.698319 ] [ 0.982234 0.750173 0.698319 ] [ 0.30121 0.250401 0.283869 ] [ 0.30121 0.749599 0.283869 ] [ 0.715359 0.749644 0.016498 ] [ 0.715359 0.250356 0.016498 ] [ 0.359495 0 0.98795 ] [ 0.360628 0.5 0.988057 ] [ 0.011914 0 0.371234 ] [ 0.012103 0.5 0.372432 ] [ 0.628575 0 0.640836 ] [ 0.633508 0.5 0.640374 ] [ 0.000302 0 0.000191 ] [ 0.997533 0.5 0.999937 ] [ 0.66658 0.25183 0.334134 ] [ 0.66658 0.74817 0.334134 ] [ 0.334518 0.251342 0.66644 ] [ 0.334518 0.748658 0.66644 ] [ 0.915966 0.5 0.805366 ] [ 0.922569 0 0.80688 ] [ 0.580543 0.254132 0.441844 ] [ 0.580543 0.745868 0.441844 ] [ 0.193857 0 0.115759 ] [ 0.191104 0.5 0.111752 ] [ 0.860004 0.249879 0.419947 ] [ 0.860004 0.750121 0.419947 ] [ 0.559303 0.250085 0.140845 ] [ 0.559303 0.749915 0.140845 ] [ 0.251842 0.250275 0.777872 ] [ 0.251842 0.749725 0.777872 ] [ 0.884525 0 0.078047 ] [ 0.884143 0.5 0.079989 ] [ 0.527927 0.252491 0.747796 ] [ 0.527927 0.747509 0.747796 ] [ 0.222373 0.749502 0.473037 ] [ 0.222373 0.250498 0.473037 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.26575899 "source-unit" "angstrom" } "b" { "source-value" 6.36525982 "source-unit" "angstrom" } "c" { "source-value" 8.27779093 "source-unit" "angstrom" } "beta" { "source-value" 119.91695179 "source-unit" "degree" } }