{ "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" [ [ 0.998308 0.89592 0.014805 ] [ 0.998308 0.10408 0.014805 ] [ 0.947913 0.301322 0.99264 ] [ 0.009614 0.5 0.054129 ] [ 0.947913 0.698678 0.99264 ] [ 0.497515 0 0.509233 ] [ 0.518614 0.398308 0.47938 ] [ 0.532741 0.192471 0.488098 ] [ 0.518614 0.601692 0.47938 ] [ 0.532741 0.807529 0.488098 ] [ 0.80507 0.19842 0.184865 ] [ 0.806116 0.399943 0.195797 ] [ 0.806116 0.600057 0.195797 ] [ 0.80507 0.80158 0.184865 ] [ 0.69726 0.907131 0.702028 ] [ 0.69726 0.092869 0.702028 ] [ 0.681314 0.297926 0.676819 ] [ 0.681314 0.702074 0.676819 ] [ 0.308048 0.905744 0.312202 ] [ 0.308048 0.094256 0.312202 ] [ 0.321385 0.5 0.325097 ] [ 0.813124 0 0.201323 ] [ 0.710879 0.5 0.70892 ] [ 0.294401 0.297416 0.287343 ] [ 0.294401 0.702584 0.287343 ] [ 0.190261 0 0.820817 ] [ 0.19573 0.399698 0.807211 ] [ 0.193095 0.200694 0.799053 ] [ 0.193095 0.799306 0.799053 ] [ 0.19573 0.600302 0.807211 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.73659402 "source-unit" "angstrom" } "b" { "source-value" 15.32941639 "source-unit" "angstrom" } "c" { "source-value" 4.74183219 "source-unit" "angstrom" } "beta" { "source-value" 92.25517009 "source-unit" "degree" } }