{ "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" [ [ 0.75 0.741162 0 ] [ 0.75 0.758838 0.5 ] [ 0.25 0.241162 0.5 ] [ 0.25 0.258838 0 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0 0 0.290538 ] [ 0 0.5 0.209462 ] [ 0.5 0.5 0.209462 ] [ 0 0.5 0.790538 ] [ 0.75 0.175148 0 ] [ 0.75 0.324852 0.5 ] [ 0.5 0.5 0.790538 ] [ 0.5 0 0.709462 ] [ 0 0 0.709462 ] [ 0.5 0 0.290538 ] [ 0.25 0.675148 0.5 ] [ 0.25 0.824852 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Hf" "Hf" "Hf" "Hf" "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" 5.82710067357 "source-unit" "angstrom" } "b" { "source-value" 5.83657076643 "source-unit" "angstrom" } "c" { "source-value" 8.18653284303 "source-unit" "angstrom" } }