{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.86908 0.25 ] [ 0.5 0.63092 0.75 ] [ 0.5 0.36908 0.25 ] [ 0 0.13092 0.75 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.991183 0.731915 0.971308 ] [ 0.718202 0.995434 0.469415 ] [ 0.508817 0.768085 0.028692 ] [ 0.718202 0.004566 0.969415 ] [ 0.781798 0.504566 0.530585 ] [ 0.491183 0.768085 0.471308 ] [ 0.781798 0.495434 0.030585 ] [ 0.008817 0.731915 0.528692 ] [ 0.491183 0.231915 0.971308 ] [ 0.218202 0.495434 0.469415 ] [ 0.008817 0.268085 0.028692 ] [ 0.218202 0.504566 0.969415 ] [ 0.281798 0.004566 0.530585 ] [ 0.991183 0.268085 0.471308 ] [ 0.281798 0.995434 0.030585 ] [ 0.508817 0.231915 0.528692 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "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" 8.86049608646 "source-unit" "angstrom" } "b" { "source-value" 8.86668762315 "source-unit" "angstrom" } "c" { "source-value" 6.34362475951 "source-unit" "angstrom" } "beta" { "source-value" 133.577928258 "source-unit" "degree" } }