{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.874316 ] [ 0.25 0.5 0.625684 ] [ 0.75 0.5 0.374316 ] [ 0.75 0 0.125684 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.71745 0.990096 ] [ 0.25 0.78255 0.490096 ] [ 0.518379 0.5 0.760188 ] [ 0.981621 0.5 0.760188 ] [ 0.518379 0 0.739812 ] [ 0.981621 0 0.739812 ] [ 0.25 0.71745 0.009904 ] [ 0.75 0.78255 0.509904 ] [ 0.25 0.21745 0.490096 ] [ 0.75 0.28255 0.990096 ] [ 0.018379 0 0.260188 ] [ 0.481621 0 0.260188 ] [ 0.018379 0.5 0.239812 ] [ 0.481621 0.5 0.239812 ] [ 0.75 0.21745 0.509904 ] [ 0.25 0.28255 0.009904 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Sn" "Sn" "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" 6.01856671 "source-unit" "angstrom" } "b" { "source-value" 6.27655882 "source-unit" "angstrom" } "c" { "source-value" 8.68631306 "source-unit" "angstrom" } }