{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.501858 0.5 0 ] [ 0.001858 0 0.5 ] [ 0.979035 0.196643 0.15868 ] [ 0.475354 0 0.160587 ] [ 0.979035 0.803357 0.15868 ] [ 0.475354 0 0.839413 ] [ 0.979035 0.196643 0.84132 ] [ 0.979035 0.803357 0.84132 ] [ 0.479035 0.696643 0.65868 ] [ 0.975354 0.5 0.660587 ] [ 0.479035 0.303357 0.65868 ] [ 0.975354 0.5 0.339413 ] [ 0.479035 0.696643 0.34132 ] [ 0.479035 0.303357 0.34132 ] [ 0.947182 0.274462 0 ] [ 0.318662 0.824276 0.221195 ] [ 0.947182 0.725538 0 ] [ 0.825472 0 0.813183 ] [ 0.318662 0.175724 0.221195 ] [ 0.825472 0 0.186817 ] [ 0.318662 0.824276 0.778805 ] [ 0.318662 0.175724 0.778805 ] [ 0.447182 0.774462 0.5 ] [ 0.818662 0.324276 0.721195 ] [ 0.447182 0.225538 0.5 ] [ 0.325472 0.5 0.313183 ] [ 0.818662 0.675724 0.721195 ] [ 0.325472 0.5 0.686817 ] [ 0.818662 0.324276 0.278805 ] [ 0.818662 0.675724 0.278805 ] [ 0.387836 0 0 ] [ 0.887836 0.5 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 4.86937387094 "source-unit" "angstrom" } "b" { "source-value" 8.16747495991 "source-unit" "angstrom" } "c" { "source-value" 9.80162413833 "source-unit" "angstrom" } }