{ "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" [ [ 0.782043 0.260497 0.12285 ] [ 0.217957 0.739503 0.87715 ] [ 0.217957 0.760497 0.37715 ] [ 0.782043 0.239503 0.62285 ] [ 0.267135 0.089306 0.36357 ] [ 0.732865 0.589306 0.13643 ] [ 0.732865 0.910694 0.63643 ] [ 0.267135 0.410694 0.86357 ] [ 0.2557 0.415415 0.353215 ] [ 0.2557 0.084585 0.853215 ] [ 0.7443 0.915415 0.146785 ] [ 0.7443 0.584585 0.646785 ] [ 0.734924 0.442661 0.350518 ] [ 0.866957 0.373781 0.862469 ] [ 0.734924 0.057339 0.850518 ] [ 0.265076 0.557339 0.649482 ] [ 0.866957 0.126219 0.362469 ] [ 0.133043 0.626219 0.137531 ] [ 0.265076 0.942661 0.149482 ] [ 0.64871 0.721476 0.361622 ] [ 0.64871 0.778524 0.861622 ] [ 0.35129 0.221476 0.138378 ] [ 0.133043 0.873781 0.637531 ] [ 0.35129 0.278524 0.638378 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Sb" "Sb" "Sb" "Sb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.07077847538 "source-unit" "angstrom" } "b" { "source-value" 12.90212918 "source-unit" "angstrom" } "c" { "source-value" 7.69787269324 "source-unit" "angstrom" } "beta" { "source-value" 91.0201316895 "source-unit" "degree" } }