{ "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" [ [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.25 0.25 0 ] [ 0.990534 0.249487 0.203097 ] [ 0.230064 0.5 0.210634 ] [ 0.990534 0.750513 0.203097 ] [ 0.229454 0 0.210726 ] [ 0.770546 0 0.789274 ] [ 0.009466 0.249487 0.796903 ] [ 0.769936 0.5 0.789366 ] [ 0.009466 0.750513 0.796903 ] [ 0.490534 0.749487 0.203097 ] [ 0.730064 0 0.210634 ] [ 0.490534 0.250513 0.203097 ] [ 0.729454 0.5 0.210726 ] [ 0.270546 0.5 0.789274 ] [ 0.509466 0.749487 0.796903 ] [ 0.269936 0 0.789366 ] [ 0.509466 0.250513 0.796903 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 10.21910953 "source-unit" "angstrom" } "b" { "source-value" 5.89166696 "source-unit" "angstrom" } "c" { "source-value" 5.99064403 "source-unit" "angstrom" } "beta" { "source-value" 124.68261293 "source-unit" "degree" } }