{ "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" [ [ 0.527663 0.899299 0.355721 ] [ 0.472337 0.399299 0.144279 ] [ 0.729529 0.685668 0.612884 ] [ 0.270471 0.185668 0.887116 ] [ 0.729529 0.814332 0.112884 ] [ 0.270471 0.314332 0.387116 ] [ 0.527663 0.600701 0.855721 ] [ 0.472337 0.100701 0.644279 ] [ 0.23295 0.885327 0.101948 ] [ 0.76705 0.385327 0.398052 ] [ 0.942646 0.110996 0.611924 ] [ 0.057354 0.610996 0.888076 ] [ 0.942646 0.389004 0.111924 ] [ 0.057354 0.889004 0.388076 ] [ 0.23295 0.614673 0.601948 ] [ 0.76705 0.114673 0.898052 ] [ 0.001532 0.689117 0.06493 ] [ 0.530751 0.234805 0.32379 ] [ 0.39309 0.115894 0.067539 ] [ 0.785149 0.035724 0.737315 ] [ 0.802229 0.606458 0.793967 ] [ 0.60691 0.615894 0.432461 ] [ 0.682047 0.993758 0.531059 ] [ 0.469249 0.734805 0.17621 ] [ 0.844198 0.39253 0.57612 ] [ 0.785149 0.464276 0.237315 ] [ 0.998468 0.189117 0.43507 ] [ 0.802229 0.893542 0.293967 ] [ 0.155802 0.89253 0.92388 ] [ 0.682047 0.506242 0.031059 ] [ 0.317953 0.493758 0.968941 ] [ 0.844198 0.10747 0.07612 ] [ 0.197771 0.106458 0.706033 ] [ 0.001532 0.810883 0.56493 ] [ 0.214851 0.535724 0.762685 ] [ 0.155802 0.60747 0.42388 ] [ 0.530751 0.265195 0.82379 ] [ 0.317953 0.006242 0.468941 ] [ 0.39309 0.384106 0.567539 ] [ 0.197771 0.393542 0.206033 ] [ 0.214851 0.964276 0.262685 ] [ 0.60691 0.884106 0.932461 ] [ 0.469249 0.765195 0.67621 ] [ 0.998468 0.310883 0.93507 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.5956284 "source-unit" "angstrom" } "b" { "source-value" 7.17776163 "source-unit" "angstrom" } "c" { "source-value" 12.68907652 "source-unit" "angstrom" } "beta" { "source-value" 100.98858131 "source-unit" "degree" } }