{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.839506 0 0.666017 ] [ 0.660494 0.5 0.333983 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.339506 0.5 0.666017 ] [ 0.160494 0 0.333983 ] [ 0.842254 0 0.176863 ] [ 0.657746 0.5 0.823137 ] [ 0.342254 0.5 0.176863 ] [ 0.157746 0 0.823137 ] [ 0.830608 0.5 0.387587 ] [ 0.672737 0 0.061504 ] [ 0.669392 0 0.612413 ] [ 0.011397 0 0.756402 ] [ 0.988603 0 0.243598 ] [ 0.827263 0.5 0.938496 ] [ 0.330608 0 0.387587 ] [ 0.172737 0.5 0.061504 ] [ 0.169392 0.5 0.612413 ] [ 0.511397 0.5 0.756402 ] [ 0.488603 0.5 0.243598 ] [ 0.327263 0 0.938496 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 12.63503352 "source-unit" "angstrom" } "b" { "source-value" 2.91083599 "source-unit" "angstrom" } "c" { "source-value" 5.9470221 "source-unit" "angstrom" } "beta" { "source-value" 104.19644002 "source-unit" "degree" } }