{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.129947 ] [ 0 0.75 0.370053 ] [ 0 0.25 0.629947 ] [ 0.5 0.25 0.870053 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.266127 0.25 0.499672 ] [ 0.5 0.463083 0.265999 ] [ 0.5 0.036917 0.265999 ] [ 0.733873 0.25 0.499672 ] [ 0.766127 0.25 0.000328 ] [ 0 0.036917 0.234001 ] [ 0 0.463083 0.234001 ] [ 0.233873 0.25 0.000328 ] [ 0.766127 0.75 0.999672 ] [ 0 0.963083 0.765999 ] [ 0 0.536917 0.765999 ] [ 0.233873 0.75 0.999672 ] [ 0.266127 0.75 0.500328 ] [ 0.5 0.536917 0.734001 ] [ 0.5 0.963083 0.734001 ] [ 0.733873 0.75 0.500328 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "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" 5.92135543 "source-unit" "angstrom" } "b" { "source-value" 6.227576 "source-unit" "angstrom" } "c" { "source-value" 9.13471526 "source-unit" "angstrom" } }