{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.165557 0.754622 0.62957 ] [ 0.834443 0.245378 0.37043 ] [ 0 0 0 ] [ 0.402726 0.665882 0.26398 ] [ 0.597274 0.334118 0.73602 ] [ 0.388686 0.482282 0.22478 ] [ 0.611314 0.517718 0.77522 ] [ 0.3994 0.178322 0.091837 ] [ 0.6006 0.821678 0.908163 ] [ 0.506568 0.452156 0.754952 ] [ 0.493432 0.547844 0.245048 ] [ 0.256771 0.327077 0.204505 ] [ 0.743229 0.672923 0.795495 ] [ 0.681357 0.127612 0.123799 ] [ 0.318643 0.872388 0.876201 ] [ 0.098589 0.954939 0.250786 ] [ 0.901411 0.045061 0.749214 ] [ 0.343231 0.934364 0.262636 ] [ 0.656769 0.065636 0.737364 ] ] } "species" { "source-value" [ "K" "K" "Mn" "H" "H" "H" "H" "Se" "Se" "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" 6.13921447191 "source-unit" "angstrom" } "b" { "source-value" 7.79378225555 "source-unit" "angstrom" } "c" { "source-value" 7.9538434991 "source-unit" "angstrom" } "alpha" { "source-value" 66.8513260835 "source-unit" "degree" } "beta" { "source-value" 77.9470600545 "source-unit" "degree" } "gamma" { "source-value" 73.2050749188 "source-unit" "degree" } }