{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_122_1" } "basis-atom-coordinates" { "source-value" [ [ 0.346969 0.932009 0.015249 ] [ 0.846969 0.067991 0.484751 ] [ 0.653031 0.932009 0.984751 ] [ 0.153031 0.067991 0.515249 ] [ 0.454089 0.80772 0.900207 ] [ 0.954089 0.19228 0.599793 ] [ 0.545911 0.80772 0.099793 ] [ 0.045911 0.19228 0.400207 ] [ 0.347286 0.683017 0.014849 ] [ 0.847286 0.316983 0.485151 ] [ 0.652714 0.683017 0.985151 ] [ 0.152714 0.316983 0.514849 ] [ 0.348808 0.192158 0.429257 ] [ 0.848808 0.807842 0.070743 ] [ 0.651192 0.192158 0.570743 ] [ 0.151192 0.807842 0.929257 ] [ 0.118223 0.177401 0.257897 ] [ 0.618223 0.822599 0.242103 ] [ 0.881777 0.177401 0.742103 ] [ 0.381777 0.822599 0.757897 ] [ 0.047008 0.942653 0.399099 ] [ 0.547008 0.057347 0.100901 ] [ 0.952992 0.942653 0.600901 ] [ 0.452992 0.057347 0.899099 ] [ 0.370963 0.485628 0.55254 ] [ 0.870963 0.514372 0.94746 ] [ 0.629037 0.485628 0.44746 ] [ 0.129037 0.514372 0.05254 ] [ 0.745426 0.193035 0.367401 ] [ 0.245426 0.806965 0.132599 ] [ 0.254574 0.193035 0.632599 ] [ 0.754574 0.806965 0.867401 ] [ 0.37019 0.897986 0.552607 ] [ 0.87019 0.102014 0.947393 ] [ 0.62981 0.897986 0.447393 ] [ 0.12981 0.102014 0.052607 ] [ 0.045467 0.441198 0.398033 ] [ 0.545467 0.558802 0.101967 ] [ 0.954533 0.441198 0.601967 ] [ 0.454533 0.558802 0.898033 ] [ 0.22887 0.691766 0.491446 ] [ 0.72887 0.308234 0.008554 ] [ 0.77113 0.691766 0.508554 ] [ 0.27113 0.308234 0.991446 ] [ 0.177332 0.664115 0.749751 ] [ 0.677332 0.335885 0.750249 ] [ 0.822668 0.664115 0.250249 ] [ 0.322668 0.335885 0.249751 ] [ 0.559383 0.675228 0.70694 ] [ 0.059383 0.324772 0.79306 ] [ 0.440617 0.675228 0.29306 ] [ 0.940617 0.324772 0.20694 ] [ 0.607037 0.996928 0.722265 ] [ 0.107037 0.003072 0.777735 ] [ 0.392963 0.996928 0.277735 ] [ 0.892963 0.003072 0.222265 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.69506348 "source-unit" "angstrom" } "b" { "source-value" 10.87883827 "source-unit" "angstrom" } "c" { "source-value" 18.84558871 "source-unit" "angstrom" } }