{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.006775 0.75 0.279854 ] [ 0.993225 0.25 0.720146 ] [ 0.506775 0.25 0.220146 ] [ 0.493225 0.75 0.779854 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.430667 0.25 0.904006 ] [ 0.930667 0.75 0.595994 ] [ 0.569333 0.75 0.095994 ] [ 0.069333 0.25 0.404006 ] [ 0.78647 0.75 0.453678 ] [ 0.783707 0.543621 0.663733 ] [ 0.716293 0.543621 0.163733 ] [ 0.735855 0.25 0.407276 ] [ 0.71353 0.75 0.953678 ] [ 0.283707 0.456379 0.836267 ] [ 0.216293 0.456379 0.336267 ] [ 0.264145 0.75 0.592724 ] [ 0.783707 0.956379 0.663733 ] [ 0.235855 0.75 0.092724 ] [ 0.21353 0.25 0.546322 ] [ 0.716293 0.956379 0.163733 ] [ 0.216293 0.043621 0.336267 ] [ 0.28647 0.25 0.046322 ] [ 0.283707 0.043621 0.836267 ] [ 0.764145 0.25 0.907276 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ge" "Ge" "Ge" "Ge" "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" 5.29163104 "source-unit" "angstrom" } "b" { "source-value" 6.8494856 "source-unit" "angstrom" } "c" { "source-value" 11.51964293 "source-unit" "angstrom" } }