{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.083319 0.249444 0.206193 ] [ 0.659073 0 0.483682 ] [ 0.083319 0.750556 0.206193 ] [ 0.169176 0 0.70944 ] [ 0.330361 0 0.990329 ] [ 0.583319 0.749444 0.206193 ] [ 0.159073 0.5 0.483682 ] [ 0.583319 0.250556 0.206193 ] [ 0.669176 0.5 0.70944 ] [ 0.830361 0.5 0.990329 ] [ 0.831647 0 0.211189 ] [ 0.917786 0.251438 0.711338 ] [ 0.917786 0.748562 0.711338 ] [ 0.331647 0.5 0.211189 ] [ 0.417786 0.751438 0.711338 ] [ 0.417786 0.248562 0.711338 ] [ 0.080211 0.251584 0.603367 ] [ 0.529562 0 0.328884 ] [ 0.668106 0 0.095447 ] [ 0.000384 0 0.312791 ] [ 0.000835 0 0.821839 ] [ 0.080211 0.748416 0.603367 ] [ 0.734053 0.785536 0.340583 ] [ 0.734053 0.214464 0.340583 ] [ 0.169304 0 0.111928 ] [ 0.832819 0 0.601611 ] [ 0.26338 0.784973 0.838979 ] [ 0.26338 0.215027 0.838979 ] [ 0.336217 0 0.593087 ] [ 0.918329 0.253319 0.104321 ] [ 0.47931 0 0.84591 ] [ 0.918329 0.746681 0.104321 ] [ 0.580211 0.751584 0.603367 ] [ 0.029562 0.5 0.328884 ] [ 0.168106 0.5 0.095447 ] [ 0.500384 0.5 0.312791 ] [ 0.500835 0.5 0.821839 ] [ 0.580211 0.248416 0.603367 ] [ 0.234053 0.285536 0.340583 ] [ 0.234053 0.714464 0.340583 ] [ 0.669304 0.5 0.111928 ] [ 0.332819 0.5 0.601611 ] [ 0.76338 0.284973 0.838979 ] [ 0.76338 0.715027 0.838979 ] [ 0.836217 0.5 0.593087 ] [ 0.418329 0.753319 0.104321 ] [ 0.97931 0.5 0.84591 ] [ 0.418329 0.246681 0.104321 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.48588814 "source-unit" "angstrom" } "b" { "source-value" 6.09209572 "source-unit" "angstrom" } "c" { "source-value" 9.07855714 "source-unit" "angstrom" } "beta" { "source-value" 90.16832343 "source-unit" "degree" } }