{ "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" [ [ 0.058438 0.329818 0.522681 ] [ 0.058438 0.670182 0.022681 ] [ 0.266167 0.735661 0.749695 ] [ 0.767885 0.775328 0.250913 ] [ 0.266167 0.264339 0.249695 ] [ 0.767885 0.224672 0.750913 ] [ 0.137585 0.586348 0.298994 ] [ 0.899941 0.288997 0.999066 ] [ 0.509546 0.53074 0.685787 ] [ 0.632607 0.79262 0.996199 ] [ 0.390043 0.032373 0.677067 ] [ 0.990416 0.096647 0.304435 ] [ 0.137585 0.413652 0.798994 ] [ 0.899941 0.711003 0.499066 ] [ 0.509546 0.46926 0.185787 ] [ 0.632607 0.20738 0.496199 ] [ 0.390043 0.967627 0.177067 ] [ 0.990416 0.903353 0.804435 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ca" "Ca" "Ca" "Ca" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.19889496 "source-unit" "angstrom" } "b" { "source-value" 8.58853675 "source-unit" "angstrom" } "c" { "source-value" 14.29666767 "source-unit" "angstrom" } "beta" { "source-value" 123.95706336 "source-unit" "degree" } }