{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.997887 0.25 ] [ 0 0.5 0.5 ] [ 0 0.002113 0.75 ] [ 0.5 0 0 ] [ 0.5 0.497887 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0.502113 0.75 ] [ 0.246092 0.527089 0.373854 ] [ 0.753908 0.527089 0.126146 ] [ 0.753908 0.472911 0.626146 ] [ 0.246092 0.472911 0.873854 ] [ 0.746092 0.027089 0.373854 ] [ 0.253908 0.027089 0.126146 ] [ 0.253908 0.972911 0.626146 ] [ 0.746092 0.972911 0.873854 ] [ 0.890496 0.193323 0.085108 ] [ 0.109504 0.193323 0.414892 ] [ 0.109504 0.806677 0.914892 ] [ 0.890496 0.806677 0.585108 ] [ 0.855406 0.347357 0.802054 ] [ 0.855406 0.652643 0.302054 ] [ 0.144594 0.652643 0.197946 ] [ 0.144594 0.347357 0.697946 ] [ 0.390496 0.693323 0.085108 ] [ 0.609504 0.693323 0.414892 ] [ 0.609504 0.306677 0.914892 ] [ 0.390496 0.306677 0.585108 ] [ 0.355406 0.847357 0.802054 ] [ 0.355406 0.152643 0.302054 ] [ 0.644594 0.152643 0.197946 ] [ 0.644594 0.847357 0.697946 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.9655984675 "source-unit" "angstrom" } "b" { "source-value" 4.66159025 "source-unit" "angstrom" } "c" { "source-value" 13.2712997421 "source-unit" "angstrom" } "beta" { "source-value" 98.9121862346 "source-unit" "degree" } }