{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.041453 0.249603 ] [ 0 0.541453 0.250397 ] [ 0 0.541453 0.749603 ] [ 0.5 0.041453 0.750397 ] [ 0 0.982453 0.5 ] [ 0.5 0.482453 0 ] [ 0 0.9765 0 ] [ 0.5 0.4765 0.5 ] [ 0 0.963043 0.75377 ] [ 0 0.963043 0.24623 ] [ 0.747414 0.199671 0 ] [ 0.252586 0.199671 0 ] [ 0.269299 0.222356 0.5 ] [ 0.230701 0.722356 0 ] [ 0.5 0.463043 0.25377 ] [ 0.5 0.463043 0.74623 ] [ 0.247414 0.699671 0.5 ] [ 0.752586 0.699671 0.5 ] [ 0.769299 0.722356 0 ] [ 0.730701 0.222356 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Fe" "Fe" "W" "W" "O" "O" "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" 5.63567339 "source-unit" "angstrom" } "b" { "source-value" 5.78647719 "source-unit" "angstrom" } "c" { "source-value" 7.84708623 "source-unit" "angstrom" } }