{ "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" [ [ 0.787586 0.571836 0.653819 ] [ 0.287586 0.928164 0.653819 ] [ 0.212414 0.428164 0.346181 ] [ 0.712414 0.071836 0.346181 ] [ 0.145269 0.836572 0.101262 ] [ 0.854731 0.163428 0.898738 ] [ 0.645269 0.663428 0.101262 ] [ 0.354731 0.336572 0.898738 ] [ 0.544966 0.254617 0.692011 ] [ 0.955034 0.754617 0.307989 ] [ 0.695083 0.432547 0.186755 ] [ 0.804917 0.932547 0.813245 ] [ 0.044966 0.245383 0.692011 ] [ 0.455034 0.745383 0.307989 ] [ 0.195083 0.067453 0.186755 ] [ 0.304917 0.567453 0.813245 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sb" "Sb" "Sb" "Sb" "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" 7.18810746566 "source-unit" "angstrom" } "b" { "source-value" 9.95511001 "source-unit" "angstrom" } "c" { "source-value" 7.99826952233 "source-unit" "angstrom" } "beta" { "source-value" 102.286454089 "source-unit" "degree" } }