{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.353299 0.875373 0.364595 ] [ 0.624627 0.853299 0.614595 ] [ 0.124627 0.646701 0.135405 ] [ 0.853299 0.624627 0.385405 ] [ 0.146701 0.375373 0.885405 ] [ 0.875373 0.353299 0.635405 ] [ 0.375373 0.146701 0.114595 ] [ 0.646701 0.124627 0.864595 ] [ 0.151626 0.90069 0.880983 ] [ 0.09931 0.848374 0.619017 ] [ 0.59931 0.651626 0.130983 ] [ 0.651626 0.59931 0.869017 ] [ 0.348374 0.40069 0.369017 ] [ 0.40069 0.348374 0.630983 ] [ 0.90069 0.151626 0.119017 ] [ 0.848374 0.09931 0.380983 ] [ 0.078547 0.968441 0.122834 ] [ 0.661882 0.936416 0.429069 ] [ 0.031559 0.921453 0.377166 ] [ 0.316422 0.856392 0.544638 ] [ 0.436416 0.838118 0.179069 ] [ 0.643608 0.816422 0.794638 ] [ 0.196664 0.803336 0.75 ] [ 0.696664 0.696664 0 ] [ 0.143608 0.683578 0.955362 ] [ 0.936416 0.661882 0.570931 ] [ 0.816422 0.643608 0.205362 ] [ 0.531559 0.578547 0.372834 ] [ 0.161882 0.563584 0.320931 ] [ 0.578547 0.531559 0.627166 ] [ 0.421453 0.468441 0.127166 ] [ 0.838118 0.436416 0.820931 ] [ 0.468441 0.421453 0.872834 ] [ 0.183578 0.356392 0.705362 ] [ 0.063584 0.338118 0.070931 ] [ 0.856392 0.316422 0.455362 ] [ 0.303336 0.303336 0.5 ] [ 0.803336 0.196664 0.25 ] [ 0.356392 0.183578 0.294638 ] [ 0.563584 0.161882 0.679069 ] [ 0.683578 0.143608 0.044638 ] [ 0.968441 0.078547 0.877166 ] [ 0.338118 0.063584 0.929069 ] [ 0.921453 0.031559 0.622834 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.8713689 "source-unit" "angstrom" } "c" { "source-value" 12.51820717 "source-unit" "angstrom" } }