{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.009834 0 0.009465 ] [ 0.973026 0.206366 0.986987 ] [ 0.957612 0.40032 0.011174 ] [ 0.957612 0.59968 0.011174 ] [ 0.973026 0.793634 0.986987 ] [ 0.509973 0.094309 0.514101 ] [ 0.540871 0.5 0.506624 ] [ 0.544932 0.297981 0.498855 ] [ 0.544932 0.702019 0.498855 ] [ 0.509973 0.905691 0.514101 ] [ 0.804656 0.300558 0.194672 ] [ 0.801901 0.5 0.196575 ] [ 0.804656 0.699442 0.194672 ] [ 0.707403 0 0.710054 ] [ 0.686193 0.194829 0.684585 ] [ 0.693378 0.399045 0.691994 ] [ 0.693378 0.600955 0.691994 ] [ 0.686193 0.805171 0.684585 ] [ 0.303064 0 0.306781 ] [ 0.805017 0.098097 0.197984 ] [ 0.805017 0.901903 0.197984 ] [ 0.297826 0.196147 0.294947 ] [ 0.303073 0.399051 0.30003 ] [ 0.303073 0.600949 0.30003 ] [ 0.297826 0.803853 0.294947 ] [ 0.195158 0.099677 0.809633 ] [ 0.192873 0.5 0.807908 ] [ 0.201182 0.301349 0.796335 ] [ 0.195158 0.900323 0.809633 ] [ 0.201182 0.698651 0.796335 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.74708724 "source-unit" "angstrom" } "b" { "source-value" 15.56703365 "source-unit" "angstrom" } "c" { "source-value" 4.76514156 "source-unit" "angstrom" } "beta" { "source-value" 91.93367945 "source-unit" "degree" } }