{ "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" [ [ 0.166258 0 0 ] [ 0.666258 0.5 0.5 ] [ 0.65183 0.701102 0.160542 ] [ 0.65183 0.298898 0.839458 ] [ 0.65183 0.701102 0.839458 ] [ 0.65183 0.298898 0.160542 ] [ 0.647417 0 0.371732 ] [ 0.647417 0 0.628268 ] [ 0.15183 0.201102 0.660542 ] [ 0.15183 0.798898 0.339458 ] [ 0.15183 0.201102 0.339458 ] [ 0.15183 0.798898 0.660542 ] [ 0.147417 0.5 0.871732 ] [ 0.147417 0.5 0.128268 ] [ 0.30191 0 0.681871 ] [ 0.800389 0.820386 0.701848 ] [ 0.800389 0.179614 0.298152 ] [ 0.707455 0.785733 0 ] [ 0.800389 0.179614 0.701848 ] [ 0.800389 0.820386 0.298152 ] [ 0.707455 0.214267 0 ] [ 0.30191 0 0.318129 ] [ 0.80191 0.5 0.181871 ] [ 0.300389 0.320386 0.201848 ] [ 0.300389 0.679614 0.798152 ] [ 0.207455 0.285733 0.5 ] [ 0.300389 0.679614 0.201848 ] [ 0.300389 0.320386 0.798152 ] [ 0.207455 0.714267 0.5 ] [ 0.80191 0.5 0.818129 ] ] } "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.87265932026 "source-unit" "angstrom" } "b" { "source-value" 7.99343168159 "source-unit" "angstrom" } "c" { "source-value" 9.42913134553 "source-unit" "angstrom" } }