{ "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" [ [ 0.457994 0.75 0.64736 ] [ 0.542006 0.25 0.35264 ] [ 0.049135 0.25 0.839395 ] [ 0.950865 0.75 0.160605 ] [ 0.045942 0.75 0.686064 ] [ 0.142959 0.25 0.065657 ] [ 0.308484 0.25 0.523461 ] [ 0.324299 0.75 0.878717 ] [ 0.316057 0.75 0.260084 ] [ 0.683943 0.25 0.739916 ] [ 0.675701 0.25 0.121283 ] [ 0.691516 0.75 0.476539 ] [ 0.857041 0.75 0.934343 ] [ 0.954058 0.25 0.313936 ] ] } "species" { "source-value" [ "Sr" "Sr" "La" "La" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.45478529 "source-unit" "angstrom" } "b" { "source-value" 4.27053494 "source-unit" "angstrom" } "c" { "source-value" 13.14124968 "source-unit" "angstrom" } "beta" { "source-value" 94.28332495 "source-unit" "degree" } }