{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.327953 0.999807 0.500787 ] [ 0.672047 0.499807 0.499213 ] [ 0.196352 0.495884 0.754793 ] [ 0.803648 0.995884 0.245207 ] [ 0.665824 0.48966 0.001746 ] [ 0.334176 0.98966 0.998254 ] [ 0.826506 0.999342 0.737532 ] [ 0.173494 0.499342 0.262468 ] [ 0.098718 0.905516 0.73242 ] [ 0.813463 0.298992 0.737122 ] [ 0.680286 0.888224 0.54131 ] [ 0.319714 0.388224 0.45869 ] [ 0.186537 0.798992 0.262878 ] [ 0.901282 0.405516 0.26758 ] [ 0.297805 0.393872 0.055403 ] [ 0.702195 0.893872 0.944597 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "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" 5.42203672 "source-unit" "angstrom" } "b" { "source-value" 5.18388297 "source-unit" "angstrom" } "c" { "source-value" 6.26505065 "source-unit" "angstrom" } "beta" { "source-value" 91.14351788 "source-unit" "degree" } }