{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.00013 0.996623 0.285165 ] [ 0.99987 0.996623 0.714835 ] [ 0.50013 0.496623 0.285165 ] [ 0.49987 0.496623 0.714835 ] [ 0.125012 0.945329 0.064506 ] [ 0.147842 0.952691 0.577408 ] [ 0.852158 0.952691 0.422592 ] [ 0.874988 0.945329 0.935494 ] [ 0.625012 0.445329 0.064506 ] [ 0.647842 0.452691 0.577408 ] [ 0.352158 0.452691 0.422592 ] [ 0.374988 0.445329 0.935494 ] [ 0.000252 0.458514 0.279081 ] [ 0.999748 0.458514 0.720919 ] [ 0.500252 0.958514 0.279081 ] [ 0.499748 0.958514 0.720919 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 14.7241624257 "source-unit" "angstrom" } "b" { "source-value" 3.96320005197 "source-unit" "angstrom" } "c" { "source-value" 7.09595838954 "source-unit" "angstrom" } "beta" { "source-value" 104.498884429 "source-unit" "degree" } }