{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.899734 0.215037 0.424517 ] [ 0.100266 0.215037 0.075483 ] [ 0.100266 0.784963 0.575483 ] [ 0.899734 0.784963 0.924517 ] [ 0.399734 0.715037 0.424517 ] [ 0.600266 0.715037 0.075483 ] [ 0.600266 0.284963 0.575483 ] [ 0.399734 0.284963 0.924517 ] [ 0.847433 0.726196 0.388524 ] [ 0.847433 0.273804 0.888524 ] [ 0.152567 0.726196 0.111476 ] [ 0.152567 0.273804 0.611476 ] [ 0.347433 0.226196 0.388524 ] [ 0.347433 0.773804 0.888524 ] [ 0.652567 0.226196 0.111476 ] [ 0.652567 0.773804 0.611476 ] [ 0.907835 0.382802 0.031012 ] [ 0.092165 0.617198 0.968988 ] [ 0.208468 0.158665 0.753549 ] [ 0.907835 0.617198 0.531012 ] [ 0.791532 0.841335 0.246451 ] [ 0.791532 0.158665 0.746451 ] [ 0.092165 0.382802 0.468988 ] [ 0.208468 0.841335 0.253549 ] [ 0.407835 0.882802 0.031012 ] [ 0.592165 0.117198 0.968988 ] [ 0.708468 0.658665 0.753549 ] [ 0.407835 0.117198 0.531012 ] [ 0.291532 0.341335 0.246451 ] [ 0.291532 0.658665 0.746451 ] [ 0.592165 0.882802 0.468988 ] [ 0.708468 0.341335 0.253549 ] [ 0 0.026101 0.75 ] [ 0 0.973899 0.25 ] [ 0.5 0.526101 0.75 ] [ 0.5 0.473899 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 13.5779868321 "source-unit" "angstrom" } "b" { "source-value" 6.28072628661 "source-unit" "angstrom" } "c" { "source-value" 6.14068241344 "source-unit" "angstrom" } "beta" { "source-value" 104.745573087 "source-unit" "degree" } }