{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.487833 0.808442 ] [ 0.75 0.512167 0.191558 ] [ 0.75 0.012167 0.308442 ] [ 0.25 0.987833 0.691558 ] [ 0.25 0.163156 0.092084 ] [ 0.75 0.836844 0.907916 ] [ 0.75 0.336844 0.592084 ] [ 0.25 0.663156 0.407916 ] [ 0.75 0.763019 0.581316 ] [ 0.25 0.736981 0.081316 ] [ 0.75 0.263019 0.918684 ] [ 0.25 0.236981 0.418684 ] [ 0.03483 0.809028 0.149049 ] [ 0.53483 0.190972 0.850951 ] [ 0.53483 0.690972 0.649049 ] [ 0.03483 0.309028 0.350951 ] [ 0.46517 0.309028 0.350951 ] [ 0.46517 0.809028 0.149049 ] [ 0.96517 0.690972 0.649049 ] [ 0.96517 0.190972 0.850951 ] [ 0.25 0.036939 0.414072 ] [ 0.75 0.963061 0.585928 ] [ 0.75 0.463061 0.914072 ] [ 0.25 0.536939 0.085928 ] [ 0.25 0.305802 0.561183 ] [ 0.75 0.694198 0.438817 ] [ 0.75 0.194198 0.061183 ] [ 0.25 0.805802 0.938817 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Be" "Be" "Be" "Be" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.98264726 "source-unit" "angstrom" } "b" { "source-value" 7.80509873 "source-unit" "angstrom" } "c" { "source-value" 10.43513884 "source-unit" "angstrom" } }