{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.765722 0.305665 0.250358 ] [ 0.765722 0.694335 0.750358 ] [ 0.239294 0.796832 0.250735 ] [ 0.239294 0.203168 0.750735 ] [ 0.499117 0.25161 0.499487 ] [ 0.499117 0.74839 0.999487 ] [ 0.00064 0.250753 0.000804 ] [ 0.00064 0.749247 0.500804 ] [ 0.665773 0.283439 0.759612 ] [ 0.85659 0.535322 0.052854 ] [ 0.233258 0.548612 0.449822 ] [ 0.762012 0.055935 0.050888 ] [ 0.136322 0.036828 0.445884 ] [ 0.341271 0.780477 0.739555 ] [ 0.665773 0.716561 0.259612 ] [ 0.85659 0.464678 0.552854 ] [ 0.233258 0.451388 0.949822 ] [ 0.762012 0.944065 0.550888 ] [ 0.136322 0.963172 0.945884 ] [ 0.341271 0.219523 0.239555 ] ] } "species" { "source-value" [ "Ca" "Ca" "La" "La" "Mn" "Mn" "Ru" "Ru" "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" 5.55904645 "source-unit" "angstrom" } "b" { "source-value" 5.71624763 "source-unit" "angstrom" } "c" { "source-value" 9.66349442 "source-unit" "angstrom" } "beta" { "source-value" 124.94259938 "source-unit" "degree" } }