{ "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" [ [ 0.2185 0.515533 0.329451 ] [ 0.7815 0.015533 0.170549 ] [ 0.7815 0.484467 0.670549 ] [ 0.2185 0.984467 0.829451 ] [ 0.919517 0.277576 0.396426 ] [ 0.919517 0.222424 0.896426 ] [ 0.080483 0.722424 0.603574 ] [ 0.080483 0.777576 0.103574 ] [ 0.575225 0.773545 0.882109 ] [ 0.575225 0.726455 0.382109 ] [ 0.424775 0.226455 0.117891 ] [ 0.424775 0.273545 0.617891 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.33998443597 "source-unit" "angstrom" } "b" { "source-value" 4.93825806 "source-unit" "angstrom" } "c" { "source-value" 5.81576315518 "source-unit" "angstrom" } "beta" { "source-value" 90.45377541 "source-unit" "degree" } }