{ "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 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.5 0.75 0.265254 ] [ 0 0.75 0.234746 ] [ 0 0.25 0.765254 ] [ 0.5 0.25 0.734746 ] [ 0 0.044842 0.227469 ] [ 0.764868 0.75 0.440327 ] [ 0.264868 0.75 0.059673 ] [ 0.5 0.955158 0.727469 ] [ 0 0.544842 0.772531 ] [ 0.735132 0.75 0.059673 ] [ 0.235132 0.75 0.440327 ] [ 0.5 0.455158 0.272531 ] [ 0.5 0.544842 0.727469 ] [ 0.264868 0.25 0.940327 ] [ 0.764868 0.25 0.559673 ] [ 0 0.455158 0.227469 ] [ 0.5 0.044842 0.272531 ] [ 0.235132 0.25 0.559673 ] [ 0.735132 0.25 0.940327 ] [ 0 0.955158 0.772531 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "Ca" "Ca" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.66794728 "source-unit" "angstrom" } "b" { "source-value" 10.77197374 "source-unit" "angstrom" } "c" { "source-value" 10.77234032 "source-unit" "angstrom" } }