{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.686716 0.693389 0.980777 ] [ 0.945679 0.182682 0.072017 ] [ 0.133244 0.977286 0.258404 ] [ 0.866756 0.477286 0.241596 ] [ 0.34877 0.45283 0.214414 ] [ 0.65123 0.95283 0.285586 ] [ 0.054321 0.682682 0.427983 ] [ 0.313284 0.193389 0.519223 ] [ 0.686716 0.806611 0.480777 ] [ 0.945679 0.317318 0.572017 ] [ 0.34877 0.04717 0.714414 ] [ 0.65123 0.54717 0.785586 ] [ 0.133244 0.522714 0.758404 ] [ 0.866756 0.022714 0.741596 ] [ 0.054321 0.817318 0.927983 ] [ 0.313284 0.306611 0.019223 ] [ 0.485897 0.996205 0.094794 ] [ 0.514103 0.496205 0.405206 ] [ 0.485897 0.503795 0.594794 ] [ 0.514103 0.003795 0.905206 ] [ 0.792475 0.076452 0.00583 ] [ 0.860206 0.500908 0.129528 ] [ 0.191826 0.462217 0.263025 ] [ 0 0.5 0 ] [ 0.249948 0.412747 0.113782 ] [ 0.696085 0.458463 0.26507 ] [ 0.808174 0.962217 0.236975 ] [ 0.139794 0.000908 0.370472 ] [ 0.207525 0.576452 0.49417 ] [ 0.303915 0.958463 0.23493 ] [ 0.750052 0.912747 0.386218 ] [ 0 0 0.5 ] [ 0.249948 0.087253 0.613782 ] [ 0.696085 0.041537 0.76507 ] [ 0.792475 0.423548 0.50583 ] [ 0.860206 0.999092 0.629528 ] [ 0.191826 0.037783 0.763025 ] [ 0.303915 0.541537 0.73493 ] [ 0.750052 0.587253 0.886218 ] [ 0.808174 0.537783 0.736975 ] [ 0.139794 0.499092 0.870472 ] [ 0.207525 0.923548 0.99417 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "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" 11.17833499 "source-unit" "angstrom" } "b" { "source-value" 4.20587284 "source-unit" "angstrom" } "c" { "source-value" 18.05585622 "source-unit" "angstrom" } "beta" { "source-value" 97.27192289 "source-unit" "degree" } }