{ "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" [ [ 0.149217 0.5 0.304654 ] [ 0.850783 0.5 0.695346 ] [ 0.649217 0 0.304654 ] [ 0.350783 0 0.695346 ] [ 0.160098 0.5 0.833492 ] [ 0.839902 0.5 0.166508 ] [ 0.660098 0 0.833492 ] [ 0.339902 0 0.166508 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.004932 0.5 0.715097 ] [ 0.154092 0 0.598303 ] [ 0.823685 0 0.931658 ] [ 0.176315 0 0.068342 ] [ 0.845908 0 0.401697 ] [ 0.995068 0.5 0.284903 ] [ 0.504932 0 0.715097 ] [ 0.654092 0.5 0.598303 ] [ 0.323685 0.5 0.931658 ] [ 0.676315 0.5 0.068342 ] [ 0.345908 0.5 0.401697 ] [ 0.495068 0 0.284903 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "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" 13.20269005 "source-unit" "angstrom" } "b" { "source-value" 2.86158983 "source-unit" "angstrom" } "c" { "source-value" 5.87175206 "source-unit" "angstrom" } "beta" { "source-value" 105.27798193 "source-unit" "degree" } }