{ "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" [ [ 0.276085 0.376352 0.624586 ] [ 0.723915 0.623648 0.375414 ] [ 0.776085 0.123648 0.124586 ] [ 0.223915 0.876352 0.875414 ] [ 0.027544 0.669779 0.132178 ] [ 0.128394 0.93666 0.393392 ] [ 0.371606 0.43666 0.106608 ] [ 0.527544 0.830221 0.632178 ] [ 0.972456 0.330221 0.867822 ] [ 0.472456 0.169779 0.367822 ] [ 0.871606 0.06334 0.606608 ] [ 0.628394 0.56334 0.893392 ] [ 0.342068 0.60004 0.387517 ] [ 0.460976 0.180992 0.873132 ] [ 0.657932 0.39996 0.612483 ] [ 0.157932 0.10004 0.112483 ] [ 0.842068 0.89996 0.887517 ] [ 0.039024 0.680992 0.626868 ] [ 0.539024 0.819008 0.126868 ] [ 0.960976 0.319008 0.373132 ] [ 0.578913 0.31807 0.229816 ] [ 0.329664 0.078599 0.503112 ] [ 0.078913 0.18193 0.729816 ] [ 0.670336 0.921401 0.496888 ] [ 0.921087 0.81807 0.270184 ] [ 0.829664 0.421401 0.003112 ] [ 0.421087 0.68193 0.770184 ] [ 0.170336 0.578599 0.996888 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.45403614494 "source-unit" "angstrom" } "b" { "source-value" 7.16406124 "source-unit" "angstrom" } "c" { "source-value" 10.2221891771 "source-unit" "angstrom" } "beta" { "source-value" 102.384915466 "source-unit" "degree" } }