{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmm" } "basis-atom-coordinates" { "source-value" [ [ 0.163374 0.753561 0.75 ] [ 0.163374 0.246439 0.75 ] [ 0.836626 0.753561 0.25 ] [ 0.836626 0.246439 0.25 ] [ 0.677161 0.5 0.75 ] [ 0.322839 0.5 0.25 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.129947 0 0.25 ] [ 0.870053 0 0.75 ] [ 0.337548 0 0.935547 ] [ 0.337548 0 0.564453 ] [ 0.662452 0 0.064453 ] [ 0.662452 0 0.435547 ] [ 0.65593 0.5 0.410373 ] [ 0.65593 0.5 0.089627 ] [ 0.34407 0.5 0.589627 ] [ 0.34407 0.5 0.910373 ] [ 0.822473 0.761452 0.920532 ] [ 0.822473 0.238548 0.579468 ] [ 0.177527 0.761452 0.079468 ] [ 0.177527 0.238548 0.420532 ] [ 0.177527 0.238548 0.079468 ] [ 0.177527 0.761452 0.420532 ] [ 0.822473 0.238548 0.920532 ] [ 0.822473 0.761452 0.579468 ] [ 0.546333 0.842691 0.75 ] [ 0.546333 0.157309 0.75 ] [ 0.453667 0.842691 0.25 ] [ 0.453667 0.157309 0.25 ] [ 0.5 0.739794 0 ] [ 0.5 0.260206 0.5 ] [ 0.5 0.260206 0 ] [ 0.5 0.739794 0.5 ] [ 0 0 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Os" "Os" "Os" "Os" "Os" "Os" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.697111 "source-unit" "angstrom" } "b" { "source-value" 8.88420075 "source-unit" "angstrom" } "c" { "source-value" 9.54489723 "source-unit" "angstrom" } }