{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.08023 0.5 ] [ 0 0.768045 0.5 ] [ 0 0.435222 0 ] [ 0 0.747749 0 ] [ 0.5 0.242541 0.5 ] [ 0.5 0.27226 0 ] [ 0.5 0.585997 0 ] [ 0.5 0.927275 0.5 ] [ 0 0.098657 0 ] [ 0 0.420478 0.5 ] [ 0.5 0.596094 0.5 ] [ 0.5 0.915085 0 ] [ 0.138718 0.258834 0.254293 ] [ 0.175757 0.582102 0.286067 ] [ 0.179654 0.930136 0.21724 ] [ 0.326583 0.432312 0.71514 ] [ 0.329769 0.079105 0.782075 ] [ 0.349991 0.754752 0.751973 ] [ 0.650009 0.754752 0.248027 ] [ 0.670231 0.079105 0.217925 ] [ 0.673417 0.432312 0.28486 ] [ 0.820346 0.930136 0.78276 ] [ 0.824243 0.582102 0.713933 ] [ 0.861282 0.258834 0.745707 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Mn" "Mn" "Mn" "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" 4.9487343 "source-unit" "angstrom" } "b" { "source-value" 8.44396843 "source-unit" "angstrom" } "c" { "source-value" 4.97249809 "source-unit" "angstrom" } "beta" { "source-value" 90.06854448 "source-unit" "degree" } }