{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.000891 0 0.998505 ] [ 0.778109 0 0.017931 ] [ 0.537518 0.5 0.535046 ] [ 0.780638 0 0.540955 ] [ 0.500891 0.5 0.998505 ] [ 0.278109 0.5 0.017931 ] [ 0.037518 0 0.535046 ] [ 0.280638 0.5 0.540955 ] [ 0.717541 0 0.70741 ] [ 0.217541 0.5 0.70741 ] [ 0.97481 0.5 0.836403 ] [ 0.969006 0.5 0.100401 ] [ 0.296876 0 0.418529 ] [ 0.294745 0 0.168549 ] [ 0.077282 0 0.383013 ] [ 0.081305 0 0.767899 ] [ 0.47481 0 0.836403 ] [ 0.469006 0 0.100401 ] [ 0.796876 0.5 0.418529 ] [ 0.794745 0.5 0.168549 ] [ 0.577282 0.5 0.383013 ] [ 0.581305 0.5 0.767899 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Se" "Se" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.8134655569 "source-unit" "angstrom" } "b" { "source-value" 4.41130602143 "source-unit" "angstrom" } "c" { "source-value" 16.0189668168 "source-unit" "angstrom" } "beta" { "source-value" 147.276479114 "source-unit" "degree" } }