{ "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" [ [ 0.606502 0 0.193316 ] [ 0.380639 0.5 0.30695 ] [ 0.00353 0.5 0.500355 ] [ 0.60966 0.5 0.693716 ] [ 0.388844 0 0.807336 ] [ 0.999665 0 0.999332 ] [ 0.301428 0.5 0.099675 ] [ 0.081996 0 0.19473 ] [ 0.91386 0.5 0.302173 ] [ 0.70232 0 0.399567 ] [ 0.499319 0.5 0.499566 ] [ 0.30173 0 0.600408 ] [ 0.084933 0.5 0.697718 ] [ 0.912292 0 0.804598 ] [ 0.50309 0 0.000145 ] [ 0.700029 0.5 0.900693 ] [ 0.272946 0.5 0.008717 ] [ 0.509358 0 0.097252 ] [ 0.093252 0 0.099745 ] [ 0.860234 0.5 0.204675 ] [ 0.325292 0.5 0.19026 ] [ 0.672589 0 0.306481 ] [ 0.136109 0 0.292157 ] [ 0.920147 0.5 0.398583 ] [ 0.484272 0.5 0.402513 ] [ 0.730834 0 0.492181 ] [ 0.273305 0 0.505853 ] [ 0.519279 0.5 0.596713 ] [ 0.084782 0.5 0.601199 ] [ 0.861571 0 0.707292 ] [ 0.327643 0 0.695028 ] [ 0.675664 0.5 0.811061 ] [ 0.135695 0.5 0.795546 ] [ 0.902091 0 0.900339 ] [ 0.49746 0 0.903078 ] [ 0.727386 0.5 0.9907 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Co" "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" 6.04231451 "source-unit" "angstrom" } "b" { "source-value" 2.96550207 "source-unit" "angstrom" } "c" { "source-value" 21.13245501 "source-unit" "angstrom" } "beta" { "source-value" 97.23482802 "source-unit" "degree" } }