{ "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" [ [ 0.31626 0.245751 0.102412 ] [ 0.68374 0.754249 0.897588 ] [ 0.18374 0.745751 0.397588 ] [ 0.81626 0.254249 0.602412 ] [ 0.7764 0.262788 0.019773 ] [ 0.2764 0.237212 0.519773 ] [ 0.972295 0.672143 0.716024 ] [ 0.027705 0.327857 0.283976 ] [ 0.472295 0.827857 0.216024 ] [ 0.2236 0.737212 0.980227 ] [ 0.527705 0.172143 0.783976 ] [ 0.7236 0.762788 0.480227 ] [ 0.362318 0.496628 0.372259 ] [ 0.6432 0.734222 0.026371 ] [ 0.096892 0.283236 0.676299 ] [ 0.851778 0.504018 0.863828 ] [ 0.596892 0.216764 0.176299 ] [ 0.3568 0.265778 0.973629 ] [ 0.648222 0.004018 0.636172 ] [ 0.637682 0.503372 0.627741 ] [ 0.1432 0.765778 0.526371 ] [ 0.351778 0.995982 0.363828 ] [ 0.137682 0.996628 0.127741 ] [ 0.403108 0.783236 0.823701 ] [ 0.862318 0.003372 0.872259 ] [ 0.8568 0.234222 0.473629 ] [ 0.903108 0.716764 0.323701 ] [ 0.148222 0.495982 0.136172 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "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" 6.69483902078 "source-unit" "angstrom" } "b" { "source-value" 6.80601933 "source-unit" "angstrom" } "c" { "source-value" 16.1972653326 "source-unit" "angstrom" } "beta" { "source-value" 94.9690883381 "source-unit" "degree" } }