{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.773799 0.386622 0.414225 ] [ 0.773799 0.386622 0.085775 ] [ 0.726201 0.886622 0.585775 ] [ 0.726201 0.886622 0.914225 ] [ 0.273799 0.113378 0.085775 ] [ 0.273799 0.113378 0.414225 ] [ 0.226201 0.613378 0.585775 ] [ 0.226201 0.613378 0.914225 ] [ 0.776387 0.336604 0.75 ] [ 0.723613 0.836604 0.25 ] [ 0.276387 0.163396 0.75 ] [ 0.223613 0.663396 0.25 ] [ 0.987253 0.783553 0.112785 ] [ 0.987253 0.783553 0.387215 ] [ 0.867507 0.622759 0.75 ] [ 0.632493 0.122759 0.25 ] [ 0.512747 0.283553 0.887215 ] [ 0.512747 0.283553 0.612785 ] [ 0.487253 0.716447 0.112785 ] [ 0.487253 0.716447 0.387215 ] [ 0.367507 0.877241 0.75 ] [ 0.132493 0.377241 0.25 ] [ 0.012747 0.216447 0.612785 ] [ 0.012747 0.216447 0.887215 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "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" 5.39715896 "source-unit" "angstrom" } "b" { "source-value" 6.13403056 "source-unit" "angstrom" } "c" { "source-value" 9.35876156 "source-unit" "angstrom" } }