{ "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" [ [ 0.999903 0 0.500399 ] [ 0.930013 0 0.755472 ] [ 0.423827 0 0.744109 ] [ 0.576722 0 0.256089 ] [ 0.999575 0 0.999476 ] [ 0.069155 0 0.244553 ] [ 0.509708 0 0.497762 ] [ 0.499507 0 0.000662 ] [ 0.35105 0 0.855683 ] [ 0.173269 0.5 0.602456 ] [ 0.147154 0 0.35575 ] [ 0.826218 0.5 0.397002 ] [ 0.327785 0.5 0.103609 ] [ 0.853095 0 0.644413 ] [ 0.672167 0.5 0.896735 ] [ 0.648976 0 0.144457 ] [ 0.731265 0 0.964614 ] [ 0.721125 0.5 0.210627 ] [ 0.215403 0.5 0.289651 ] [ 0.232616 0 0.535491 ] [ 0.764655 0 0.465049 ] [ 0.425777 0 0.181531 ] [ 0.947254 0.5 0.566031 ] [ 0.051011 0.5 0.434289 ] [ 0.574347 0 0.818706 ] [ 0.552809 0.5 0.06631 ] [ 0.268902 0 0.035864 ] [ 0.783715 0.5 0.710644 ] [ 0.920527 0 0.319521 ] [ 0.077932 0 0.68082 ] [ 0.279224 0.5 0.789365 ] [ 0.447224 0.5 0.934067 ] [ 0.416597 0 0.420964 ] [ 0.946323 0.5 0.818121 ] [ 0.053969 0.5 0.181899 ] [ 0.580794 0 0.578333 ] [ 0.554861 0.5 0.318083 ] [ 0.083566 0 0.921104 ] [ 0.917454 0 0.078293 ] [ 0.444527 0.5 0.681999 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.8422289597 "source-unit" "angstrom" } "b" { "source-value" 3.92553579153 "source-unit" "angstrom" } "c" { "source-value" 27.5439630764 "source-unit" "angstrom" } "beta" { "source-value" 90.1048194798 "source-unit" "degree" } }