{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.519125 0.522299 0.505281 ] [ 0.474313 0.533081 0.006093 ] [ 0.002238 0.996621 0.499686 ] [ 0.965092 0.025208 0.993409 ] [ 0.291267 0.779989 0.039499 ] [ 0.701287 0.777872 0.539451 ] [ 0.720286 0.210584 0.956894 ] [ 0.101172 0.995927 0.750818 ] [ 0.20287 0.694804 0.450344 ] [ 0.218956 0.280277 0.057353 ] [ 0.305604 0.21328 0.456824 ] [ 0.401195 0.486561 0.750368 ] [ 0.597903 0.493092 0.249176 ] [ 0.794759 0.703809 0.946202 ] [ 0.797564 0.292139 0.55081 ] [ 0.906371 0.994457 0.247791 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "O" "O" "O" "F" "F" "F" "F" "F" "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" 5.23140805 "source-unit" "angstrom" } "b" { "source-value" 5.41658202 "source-unit" "angstrom" } "c" { "source-value" 7.57439764 "source-unit" "angstrom" } "alpha" { "source-value" 92.52075913 "source-unit" "degree" } "beta" { "source-value" 90.0011437 "source-unit" "degree" } "gamma" { "source-value" 90.32683427 "source-unit" "degree" } }