{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.002301 0.751459 0.501964 ] [ 0.002458 0.5 0.999657 ] [ 0.002301 0.248541 0.501964 ] [ 0.502301 0.251459 0.501964 ] [ 0.502458 0 0.999657 ] [ 0.502301 0.748541 0.501964 ] [ 0.0037 0 0.999521 ] [ 0.5037 0.5 0.999521 ] [ 0.8805 0 0.250186 ] [ 0.122867 0.754087 0.244852 ] [ 0.633793 0 0.753938 ] [ 0.876143 0.75294 0.752574 ] [ 0.374852 0 0.249397 ] [ 0.122867 0.245913 0.244852 ] [ 0.124463 0 0.757356 ] [ 0.876143 0.24706 0.752574 ] [ 0.3805 0.5 0.250186 ] [ 0.622867 0.254087 0.244852 ] [ 0.133793 0.5 0.753938 ] [ 0.376143 0.25294 0.752574 ] [ 0.874852 0.5 0.249397 ] [ 0.622867 0.745913 0.244852 ] [ 0.624463 0.5 0.757356 ] [ 0.376143 0.74706 0.752574 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "I" "I" "I" "I" "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" 11.29143796 "source-unit" "angstrom" } "b" { "source-value" 11.32821868 "source-unit" "angstrom" } "c" { "source-value" 9.77098465 "source-unit" "angstrom" } "beta" { "source-value" 125.06758929 "source-unit" "degree" } }