{ "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" [ [ 0.940372 0.606998 0.063327 ] [ 0.440372 0.893002 0.563327 ] [ 0.059628 0.393002 0.936673 ] [ 0.559628 0.106998 0.436673 ] [ 0.034752 0.117665 0.251598 ] [ 0.465248 0.617665 0.248402 ] [ 0.965248 0.882335 0.748402 ] [ 0.534752 0.382335 0.751598 ] [ 0.816291 0.203347 0.546085 ] [ 0.838517 0.193835 0.942214 ] [ 0.338517 0.306165 0.442214 ] [ 0.683709 0.703347 0.953915 ] [ 0.889696 0.497747 0.265939 ] [ 0.389696 0.002253 0.765939 ] [ 0.161483 0.806165 0.057786 ] [ 0.183709 0.796653 0.453915 ] [ 0.110304 0.502253 0.734061 ] [ 0.661483 0.693835 0.557786 ] [ 0.610304 0.997747 0.234061 ] [ 0.316291 0.296653 0.046085 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "Pb" "Pb" "Pb" "Pb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.12695803668 "source-unit" "angstrom" } "b" { "source-value" 7.81131208 "source-unit" "angstrom" } "c" { "source-value" 9.8536014492 "source-unit" "angstrom" } "beta" { "source-value" 91.8882817167 "source-unit" "degree" } }