{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.250183 0.5 0.245967 ] [ 0.749817 0.5 0.754033 ] [ 0.750183 0 0.245967 ] [ 0.249817 0 0.754033 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.96599 0.24246 0.204767 ] [ 0.03401 0.24246 0.795233 ] [ 0.03401 0.75754 0.795233 ] [ 0.96599 0.75754 0.204767 ] [ 0.759564 0 0.696682 ] [ 0.240436 0 0.303318 ] [ 0.46599 0.74246 0.204767 ] [ 0.53401 0.74246 0.795233 ] [ 0.53401 0.25754 0.795233 ] [ 0.46599 0.25754 0.204767 ] [ 0.259564 0.5 0.696682 ] [ 0.740436 0.5 0.303318 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ni" "Ni" "Te" "Te" "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" 9.78714340646 "source-unit" "angstrom" } "b" { "source-value" 5.64530176418 "source-unit" "angstrom" } "c" { "source-value" 5.71497304941 "source-unit" "angstrom" } "beta" { "source-value" 125.507125889 "source-unit" "degree" } }