{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.60068 0.5 0.700399 ] [ 0.800321 0 0.600596 ] [ 0 0.5 0.5 ] [ 0.199679 0 0.399404 ] [ 0.39932 0.5 0.299601 ] [ 0.599505 0 0.200285 ] [ 0 0 0 ] [ 0.802169 0.5 0.099451 ] [ 0.197831 0.5 0.900549 ] [ 0.400495 0 0.799715 ] [ 0.5 0.5 0.5 ] [ 0.300204 0.5 0.098362 ] [ 0.5 0 0 ] [ 0.699796 0.5 0.901638 ] [ 0.099956 0.5 0.700085 ] [ 0.301878 0 0.599843 ] [ 0.698122 0 0.400157 ] [ 0.102693 0 0.199099 ] [ 0.900044 0.5 0.299915 ] [ 0.897307 0 0.800901 ] [ 0.132204 0.5 0.793603 ] [ 0.336075 0 0.700463 ] [ 0.864221 0 0.699277 ] [ 0.068995 0.5 0.6065 ] [ 0.273699 0 0.499333 ] [ 0.531096 0.5 0.592598 ] [ 0.931005 0.5 0.3935 ] [ 0.726301 0 0.500667 ] [ 0.468904 0.5 0.407402 ] [ 0.135779 0 0.300723 ] [ 0.663925 0 0.299537 ] [ 0.074257 0 0.098145 ] [ 0.334138 0.5 0.191496 ] [ 0.867796 0.5 0.206397 ] [ 0.525447 0 0.094803 ] [ 0.925743 0 0.901855 ] [ 0.278456 0.5 0.004173 ] [ 0.474553 0 0.905197 ] [ 0.721544 0.5 0.995827 ] [ 0.665862 0.5 0.808504 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.77802197 "source-unit" "angstrom" } "b" { "source-value" 2.86024591 "source-unit" "angstrom" } "c" { "source-value" 20.5817711 "source-unit" "angstrom" } "beta" { "source-value" 97.70878489 "source-unit" "degree" } }