{ "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" [ [ 0.5 0 0 ] [ 0.251993 0.516403 0.346239 ] [ 0.748007 0.483597 0.653761 ] [ 0.822034 0.294032 0.322627 ] [ 0.703712 0.762423 0.89398 ] [ 0.67424 0.739883 0.493499 ] [ 0.277109 0.738227 0.18005 ] [ 0.177966 0.705968 0.677373 ] [ 0.32576 0.260117 0.506501 ] [ 0.722891 0.261773 0.81995 ] [ 0.296288 0.237577 0.10602 ] ] } "species" { "source-value" [ "Ni" "W" "W" "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" 5.20278333169 "source-unit" "angstrom" } "b" { "source-value" 5.6869877291 "source-unit" "angstrom" } "c" { "source-value" 5.89586537433 "source-unit" "angstrom" } "alpha" { "source-value" 108.44607618 "source-unit" "degree" } "beta" { "source-value" 90.6834302854 "source-unit" "degree" } "gamma" { "source-value" 117.121912534 "source-unit" "degree" } }