{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmab" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.980593 0.107522 ] [ 0.75 0.480593 0.892478 ] [ 0.25 0.519407 0.107522 ] [ 0.25 0.019407 0.892478 ] [ 0.75 0.997679 0.414639 ] [ 0.75 0.497679 0.585361 ] [ 0.25 0.002321 0.585361 ] [ 0.25 0.502321 0.414639 ] [ 0.25 0.007563 0.269228 ] [ 0.75 0.492437 0.269228 ] [ 0.25 0.507563 0.730772 ] [ 0.75 0.992437 0.730772 ] [ 0.25 0.534435 0.594351 ] [ 0.75 0.465565 0.405649 ] [ 0.25 0.034435 0.405649 ] [ 0.75 0.965565 0.594351 ] [ 0.25 0.447835 0.932733 ] [ 0.75 0.552165 0.067267 ] [ 0.25 0.947835 0.067267 ] [ 0.75 0.052165 0.932733 ] [ 0.5 0.75 0.244557 ] [ 0 0.25 0.755443 ] [ 0.5 0.25 0.755443 ] [ 0 0.75 0.244557 ] [ 0 0.75 0.77699 ] [ 0.5 0.25 0.22301 ] [ 0 0.25 0.22301 ] [ 0.5 0.75 0.77699 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Na" "Na" "Na" "Na" "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "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" 5.31994337 "source-unit" "angstrom" } "b" { "source-value" 5.40085911 "source-unit" "angstrom" } "c" { "source-value" 12.84569102 "source-unit" "angstrom" } }