{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.509016 0.457886 0.750158 ] [ 0.990984 0.957886 0.749842 ] [ 0.009016 0.042114 0.250158 ] [ 0.490984 0.542114 0.249842 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.310514 0.269584 0.457278 ] [ 0.576278 0.979563 0.269993 ] [ 0.923722 0.479563 0.230007 ] [ 0.423722 0.020437 0.730007 ] [ 0.689486 0.730416 0.542722 ] [ 0.231527 0.806296 0.46021 ] [ 0.268473 0.306296 0.03979 ] [ 0.810514 0.230416 0.957278 ] [ 0.076278 0.520437 0.769993 ] [ 0.189486 0.769584 0.042722 ] [ 0.731527 0.693704 0.96021 ] [ 0.768473 0.193704 0.53979 ] ] } "species" { "source-value" [ "Yb" "Yb" "Sr" "Sr" "Sr" "Sr" "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" 5.77899696335 "source-unit" "angstrom" } "b" { "source-value" 5.86198841 "source-unit" "angstrom" } "c" { "source-value" 8.19950750587 "source-unit" "angstrom" } "beta" { "source-value" 90.3946141417 "source-unit" "degree" } }