{ "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" [ [ 0.949846 0.860152 0.599515 ] [ 0.550154 0.360152 0.400485 ] [ 0.050154 0.139848 0.400485 ] [ 0.449846 0.639848 0.599515 ] [ 0.192967 0.9461 0.791784 ] [ 0.307033 0.4461 0.208216 ] [ 0.807033 0.0539 0.208216 ] [ 0.692967 0.5539 0.791784 ] [ 0.133538 0.85901 0.342982 ] [ 0.366462 0.35901 0.657018 ] [ 0.866462 0.14099 0.657018 ] [ 0.633538 0.64099 0.342982 ] [ 0.499303 0.859034 0.935626 ] [ 0.000697 0.359034 0.064374 ] [ 0.500697 0.140966 0.064374 ] [ 0.999303 0.640966 0.935626 ] ] } "species" { "source-value" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.26405657689 "source-unit" "angstrom" } "b" { "source-value" 15.08410082 "source-unit" "angstrom" } "c" { "source-value" 7.52999624637 "source-unit" "angstrom" } "beta" { "source-value" 96.4257523295 "source-unit" "degree" } }