{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.993735 0.509678 0.997426 ] [ 0.55518 0.809498 0.836125 ] [ 0.511121 0.516429 0.510568 ] [ 0.488879 0.016429 0.489432 ] [ 0.44482 0.309498 0.163875 ] [ 0.006265 0.009678 0.002574 ] [ 0.977586 0.259151 0.701026 ] [ 0.022414 0.759151 0.298974 ] [ 0.0214 0.760341 0.657414 ] [ 0.9786 0.260341 0.342586 ] [ 0.507326 0.257325 0.84911 ] [ 0.492674 0.757325 0.15089 ] [ 0.682311 0.252256 0.951531 ] [ 0.271254 0.256609 0.888717 ] [ 0.932496 0.945456 0.748775 ] [ 0.939597 0.573584 0.747979 ] [ 0.566997 0.259617 0.710563 ] [ 0.306286 0.767992 0.632529 ] [ 0.876624 0.757466 0.50459 ] [ 0.123376 0.257466 0.49541 ] [ 0.693714 0.267992 0.367471 ] [ 0.433003 0.759617 0.289437 ] [ 0.060403 0.073584 0.252021 ] [ 0.067504 0.445456 0.251225 ] [ 0.728746 0.756609 0.111283 ] [ 0.317689 0.752256 0.048469 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "P" "P" "C" "C" "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" 5.33022352 "source-unit" "angstrom" } "b" { "source-value" 6.69705237 "source-unit" "angstrom" } "c" { "source-value" 8.99645703 "source-unit" "angstrom" } "beta" { "source-value" 90.56246637 "source-unit" "degree" } }