{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.980905 0.75 0.778475 ] [ 0.019095 0.25 0.221525 ] [ 0.315654 0.75 0.205516 ] [ 0.684346 0.25 0.794484 ] [ 0.572788 0.75 0.167667 ] [ 0.427212 0.25 0.832333 ] [ 0.306392 0.75 0.403782 ] [ 0.693608 0.25 0.596218 ] [ 0.57199 0.75 0.001395 ] [ 0.42801 0.25 0.998605 ] [ 0.698547 0.607204 0.227927 ] [ 0.301453 0.107204 0.772073 ] [ 0.301453 0.392796 0.772073 ] [ 0.698547 0.892796 0.227927 ] [ 0.512337 0.75 0.508314 ] [ 0.487663 0.25 0.491686 ] [ 0.194098 0.607846 0.450631 ] [ 0.805902 0.107846 0.549369 ] [ 0.805902 0.392154 0.549369 ] [ 0.194098 0.892154 0.450631 ] [ 0.203387 0.599456 0.132164 ] [ 0.796613 0.099456 0.867836 ] [ 0.796613 0.400544 0.867836 ] [ 0.203387 0.900544 0.132164 ] ] } "species" { "source-value" [ "Cs" "Cs" "B" "B" "C" "C" "C" "C" "F" "F" "F" "F" "F" "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" 6.06570849554 "source-unit" "angstrom" } "b" { "source-value" 7.70851849 "source-unit" "angstrom" } "c" { "source-value" 8.36573057563 "source-unit" "angstrom" } "beta" { "source-value" 100.798705141 "source-unit" "degree" } }