{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.993958 0.886544 0.85765 ] [ 0.006042 0.113456 0.14235 ] [ 0.847707 0.605363 0.467156 ] [ 0.493958 0.613456 0.85765 ] [ 0.652293 0.105363 0.532844 ] [ 0.347707 0.894637 0.467156 ] [ 0.506042 0.386544 0.14235 ] [ 0.152293 0.394637 0.532844 ] [ 0.865661 0.873071 0.357476 ] [ 0.634339 0.373071 0.642524 ] [ 0.365661 0.626929 0.357476 ] [ 0.134339 0.126929 0.642524 ] [ 0.010038 0.333717 0.1283 ] [ 0.510038 0.166283 0.1283 ] [ 0.489962 0.833717 0.8717 ] [ 0.989962 0.666283 0.8717 ] [ 0.682043 0.251212 0.690301 ] [ 0.837646 0.439488 0.582015 ] [ 0.182043 0.248788 0.690301 ] [ 0.467294 0.565629 0.16701 ] [ 0.532706 0.434371 0.83299 ] [ 0.817957 0.751212 0.309699 ] [ 0.162354 0.560512 0.417985 ] [ 0.529283 0.616792 0.540899 ] [ 0.032706 0.065629 0.83299 ] [ 0.029283 0.883208 0.540899 ] [ 0.337646 0.060512 0.582015 ] [ 0.470717 0.383208 0.459101 ] [ 0.662354 0.939488 0.417985 ] [ 0.317957 0.748788 0.309699 ] [ 0.967294 0.934371 0.16701 ] [ 0.970717 0.116792 0.459101 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "Br" "Br" "Br" "Br" "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" 6.33274008726 "source-unit" "angstrom" } "b" { "source-value" 11.861383 "source-unit" "angstrom" } "c" { "source-value" 6.50605380062 "source-unit" "angstrom" } "beta" { "source-value" 90.7370701119 "source-unit" "degree" } }