{ "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" [ [ 0.374984 0.5 0.12779 ] [ 0.5 0 0 ] [ 0.625016 0.5 0.87221 ] [ 0.750691 0 0.74701 ] [ 0.875331 0.5 0.62213 ] [ 0 0 0.5 ] [ 0.249309 0 0.25299 ] [ 0.124669 0.5 0.37787 ] [ 0.870559 0 0.130598 ] [ 0.129441 0 0.869402 ] [ 0 0.5 0 ] [ 0.254081 0.5 0.744473 ] [ 0.375944 0 0.622208 ] [ 0.624056 0 0.377792 ] [ 0.745919 0.5 0.255527 ] [ 0.5 0.5 0.5 ] [ 0.300166 0.5 0.933418 ] [ 0.419353 0 0.802205 ] [ 0.34338 0 0.441575 ] [ 0.580647 0 0.197795 ] [ 0.530861 0.5 0.680355 ] [ 0.469139 0.5 0.319645 ] [ 0.699834 0.5 0.066582 ] [ 0.65662 0 0.558425 ] [ 0.827354 0 0.936461 ] [ 0.780683 0.5 0.436198 ] [ 0.04002 0.5 0.193422 ] [ 0.95998 0.5 0.806578 ] [ 0.902194 0 0.313679 ] [ 0.172646 0 0.063539 ] [ 0.097806 0 0.686321 ] [ 0.219317 0.5 0.563802 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "Co" "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" 5.08732357 "source-unit" "angstrom" } "b" { "source-value" 2.89597656 "source-unit" "angstrom" } "c" { "source-value" 18.95017642 "source-unit" "angstrom" } "beta" { "source-value" 94.61363429 "source-unit" "degree" } }