{ "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 ] [ 0 0 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.260053 0 0.750413 ] [ 0.994604 0.259702 0.235589 ] [ 0.994604 0.740298 0.235589 ] [ 0.750827 0 0.734781 ] [ 0.249173 0 0.265219 ] [ 0.005396 0.259702 0.764411 ] [ 0.005396 0.740298 0.764411 ] [ 0.739947 0 0.249587 ] [ 0.760053 0.5 0.750413 ] [ 0.494604 0.759702 0.235589 ] [ 0.494604 0.240298 0.235589 ] [ 0.250827 0.5 0.734781 ] [ 0.749173 0.5 0.265219 ] [ 0.505396 0.759702 0.764411 ] [ 0.505396 0.240298 0.764411 ] [ 0.239947 0.5 0.249587 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Sn" "Sn" "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" 10.65137323 "source-unit" "angstrom" } "b" { "source-value" 6.27104776 "source-unit" "angstrom" } "c" { "source-value" 6.24274046 "source-unit" "angstrom" } "beta" { "source-value" 125.02535804 "source-unit" "degree" } }