{ "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" [ [ 0.370202 0.309215 0.57757 ] [ 0.82352 0.874999 0.649053 ] [ 0.5 0 1 ] [ 0.629798 0.690785 0.42243 ] [ 0.17648 0.125001 0.350947 ] [ 0.841411 0.306427 0.688978 ] [ 0.158589 0.693573 0.311022 ] [ 0.293833 0.837805 0.76988 ] [ 0.706167 0.162195 0.23012 ] [ 0.703428 0.665496 0.016809 ] [ 0.296572 0.334505 0.983191 ] [ 0.078326 0.300927 0.519958 ] [ 0.858813 0.093362 0.394367 ] [ 0.340839 0.044838 0.789282 ] [ 0.457695 0.200793 0.368105 ] [ 0.659757 0.405551 0.547866 ] [ 0.921674 0.699073 0.480042 ] [ 0.768208 0.076646 0.785931 ] [ 0.659161 0.955162 0.210718 ] [ 0.231792 0.923354 0.214069 ] [ 0.340243 0.594449 0.452134 ] [ 0.542305 0.799207 0.631895 ] [ 0.141187 0.906638 0.605633 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Se" "Se" "Se" "Se" "Br" "Br" "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" 6.51749121239 "source-unit" "angstrom" } "b" { "source-value" 7.74109839945 "source-unit" "angstrom" } "c" { "source-value" 7.82567004421 "source-unit" "angstrom" } "alpha" { "source-value" 67.9187830808 "source-unit" "degree" } "beta" { "source-value" 73.9384050255 "source-unit" "degree" } "gamma" { "source-value" 81.5616378666 "source-unit" "degree" } }