{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.333192 0.751467 0.830534 ] [ 0.666808 0.248533 0.169466 ] [ 0.170111 0.429627 0.046139 ] [ 0.829889 0.570373 0.953861 ] [ 0.078835 0.18109 0.887648 ] [ 0.921165 0.81891 0.112352 ] [ 0.247135 0.540021 0.645425 ] [ 0.752865 0.459979 0.354575 ] [ 0.027769 0.104637 0.265533 ] [ 0.972231 0.895363 0.734467 ] [ 0.879996 0.359772 0.170801 ] [ 0.120004 0.640228 0.829199 ] [ 0.955738 0.296129 0.061936 ] [ 0.044262 0.703871 0.938064 ] [ 0.5 0.5 0 ] [ 0.135184 0.813631 0.467119 ] [ 0.864816 0.186369 0.532881 ] [ 0.254205 0.028182 0.645556 ] [ 0.745795 0.971818 0.354444 ] [ 0.335591 0.167737 0.221755 ] [ 0.664409 0.832263 0.778245 ] [ 0.453486 0.366905 0.413904 ] [ 0.546514 0.633095 0.586096 ] [ 0.946908 0.444602 0.703154 ] [ 0.053092 0.555398 0.296846 ] [ 0.231105 0.908522 0.060994 ] [ 0.768895 0.091478 0.939006 ] [ 0.387134 0.271352 0.818101 ] [ 0.612866 0.728648 0.181899 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "C" "C" "C" "C" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 9.27883386 "source-unit" "angstrom" } "b" { "source-value" 10.28464107 "source-unit" "angstrom" } "c" { "source-value" 11.21885843 "source-unit" "angstrom" } "alpha" { "source-value" 70.12670332 "source-unit" "degree" } "beta" { "source-value" 66.24927366 "source-unit" "degree" } "gamma" { "source-value" 70.74448866 "source-unit" "degree" } }