{ "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" [ [ 0.282362 0.584793 0.425171 ] [ 0.782362 0.915207 0.925171 ] [ 0.717638 0.415207 0.574829 ] [ 0.217638 0.084793 0.074829 ] [ 0.870912 0.447249 0.116216 ] [ 0.370912 0.052751 0.616216 ] [ 0.129088 0.552751 0.883784 ] [ 0.629088 0.947249 0.383784 ] [ 0.962778 0.183372 0.376094 ] [ 0.462778 0.316628 0.876094 ] [ 0.037222 0.816628 0.623906 ] [ 0.537222 0.683372 0.123906 ] [ 0.081654 0.31728 0.234393 ] [ 0.581654 0.18272 0.734393 ] [ 0.918346 0.68272 0.765607 ] [ 0.418346 0.81728 0.265607 ] [ 0.676938 0.586565 0.981741 ] [ 0.176938 0.913435 0.481741 ] [ 0.323062 0.413435 0.018259 ] [ 0.823062 0.086565 0.518259 ] [ 0.181025 0.398864 0.613337 ] [ 0.681025 0.101136 0.113337 ] [ 0.818975 0.601136 0.386663 ] [ 0.318975 0.898864 0.886663 ] [ 0.519825 0.674008 0.617264 ] [ 0.019825 0.825992 0.117264 ] [ 0.480175 0.325992 0.382736 ] [ 0.980175 0.174008 0.882736 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "S" "S" "S" "S" "S" "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" 9.60794711788 "source-unit" "angstrom" } "b" { "source-value" 8.24090402 "source-unit" "angstrom" } "c" { "source-value" 11.0303885946 "source-unit" "angstrom" } "beta" { "source-value" 102.945820369 "source-unit" "degree" } }