{ "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" [ [ 0.519556 0.51095 0.005344 ] [ 0.493475 0.828933 0.664259 ] [ 0.518065 0.18259 0.339228 ] [ 0.987098 0.330465 0.656885 ] [ 0.980825 0.658786 0.324757 ] [ 0.999218 0.991265 0.005618 ] [ 0.800167 0.380585 0.428623 ] [ 0.823322 0.710154 0.11147 ] [ 0.694236 0.203007 0.105467 ] [ 0.696781 0.533748 0.765607 ] [ 0.705367 0.878234 0.436442 ] [ 0.306109 0.13593 0.565268 ] [ 0.301957 0.46211 0.232348 ] [ 0.309299 0.794899 0.899024 ] [ 0.805392 0.03928 0.762133 ] [ 0.178287 0.62536 0.554233 ] [ 0.203108 0.95043 0.248768 ] [ 0.177739 0.283274 0.894526 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 4.71234556 "source-unit" "angstrom" } "b" { "source-value" 5.54310166 "source-unit" "angstrom" } "c" { "source-value" 7.72585534 "source-unit" "angstrom" } "alpha" { "source-value" 84.15707731 "source-unit" "degree" } "beta" { "source-value" 85.26384908 "source-unit" "degree" } "gamma" { "source-value" 85.06804358 "source-unit" "degree" } }