{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnn2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.440972 ] [ 0 0 0.001739 ] [ 0 0.5 0.940972 ] [ 0.5 0.5 0.501739 ] [ 0.504516 0.240793 0.811976 ] [ 0.995484 0.740793 0.311976 ] [ 0.004516 0.259207 0.311976 ] [ 0.495484 0.759207 0.811976 ] [ 0.996296 0.803748 0.641918 ] [ 0.003704 0.196252 0.641918 ] [ 0.503704 0.303748 0.141918 ] [ 0.496296 0.696252 0.141918 ] [ 0.280992 0.747048 0.695063 ] [ 0.07368 0.264531 0.477801 ] [ 0.278754 0.746585 0.263152 ] [ 0.721246 0.253415 0.263152 ] [ 0.719008 0.252952 0.695063 ] [ 0 0 0.62827 ] [ 0.778754 0.753415 0.763152 ] [ 0.92632 0.735469 0.477801 ] [ 0.5 0.5 0.12827 ] [ 0.57368 0.235469 0.977801 ] [ 0.219008 0.247048 0.195063 ] [ 0.221246 0.246585 0.763152 ] [ 0.42632 0.764531 0.977801 ] [ 0.780992 0.752952 0.195063 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Be" "Be" "Be" "Be" "Si" "Si" "Si" "Si" "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" 5.19992627 "source-unit" "angstrom" } "b" { "source-value" 8.43910102 "source-unit" "angstrom" } "c" { "source-value" 9.01388703 "source-unit" "angstrom" } }