{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.688365 0.188365 0.311635 ] [ 0.311635 0.688365 0.188365 ] [ 0.945855 0.554145 0.445855 ] [ 0.811635 0.811635 0.811635 ] [ 0.054145 0.054145 0.054145 ] [ 0.445855 0.945855 0.554145 ] [ 0.554145 0.445855 0.945855 ] [ 0.188365 0.311635 0.688365 ] [ 0.326724 0.326724 0.326724 ] [ 0.173276 0.673276 0.826724 ] [ 0.826724 0.173276 0.673276 ] [ 0.673276 0.826724 0.173276 ] [ 0.417627 0.082373 0.917627 ] [ 0.082373 0.917627 0.417627 ] [ 0.582373 0.582373 0.582373 ] [ 0.917627 0.417627 0.082373 ] [ 0.269497 0.624932 0.510416 ] [ 0.769497 0.875068 0.489584 ] [ 0.730503 0.124932 0.989584 ] [ 0.875068 0.489584 0.769497 ] [ 0.989584 0.730503 0.124932 ] [ 0.489584 0.769497 0.875068 ] [ 0.624932 0.510416 0.269497 ] [ 0.510416 0.269497 0.624932 ] [ 0.124932 0.989584 0.730503 ] [ 0.230503 0.375068 0.010416 ] [ 0.010416 0.230503 0.375068 ] [ 0.375068 0.010416 0.230503 ] [ 0.583325 0.763442 0.981087 ] [ 0.083325 0.736558 0.018913 ] [ 0.416675 0.263442 0.518913 ] [ 0.736558 0.018913 0.083325 ] [ 0.518913 0.416675 0.263442 ] [ 0.018913 0.083325 0.736558 ] [ 0.763442 0.981087 0.583325 ] [ 0.981087 0.583325 0.763442 ] [ 0.263442 0.518913 0.416675 ] [ 0.236558 0.481087 0.916675 ] [ 0.481087 0.916675 0.236558 ] [ 0.916675 0.236558 0.481087 ] [ 0.074584 0.859775 0.761717 ] [ 0.574584 0.640225 0.238283 ] [ 0.925416 0.359775 0.738283 ] [ 0.640225 0.238283 0.574584 ] [ 0.738283 0.925416 0.359775 ] [ 0.238283 0.574584 0.640225 ] [ 0.674455 0.778031 0.528945 ] [ 0.859775 0.761717 0.074584 ] [ 0.359775 0.738283 0.925416 ] [ 0.140225 0.261717 0.425416 ] [ 0.261717 0.425416 0.140225 ] [ 0.425416 0.140225 0.261717 ] [ 0.221969 0.028945 0.825545 ] [ 0.721969 0.471055 0.174455 ] [ 0.778031 0.528945 0.674455 ] [ 0.471055 0.174455 0.721969 ] [ 0.099855 0.316663 0.010293 ] [ 0.010293 0.099855 0.316663 ] [ 0.316663 0.010293 0.099855 ] [ 0.183337 0.989707 0.599855 ] [ 0.510293 0.400145 0.683337 ] [ 0.683337 0.510293 0.400145 ] [ 0.489707 0.900145 0.816663 ] [ 0.989707 0.599855 0.183337 ] [ 0.816663 0.489707 0.900145 ] [ 0.599855 0.183337 0.989707 ] [ 0.900145 0.816663 0.489707 ] [ 0.400145 0.683337 0.510293 ] [ 0.278031 0.971055 0.325545 ] [ 0.325545 0.278031 0.971055 ] [ 0.971055 0.325545 0.278031 ] [ 0.528945 0.674455 0.778031 ] [ 0.825545 0.221969 0.028945 ] [ 0.028945 0.825545 0.221969 ] [ 0.174455 0.721969 0.471055 ] [ 0.761717 0.074584 0.859775 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.48117945 "source-unit" "angstrom" } }