{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.441152 ] [ 0.75 0.5 0.058848 ] [ 0.75 0 0.558848 ] [ 0.25 0.5 0.941152 ] [ 0.489468 0.863093 0.153523 ] [ 0.989468 0.636907 0.346477 ] [ 0.510532 0.363093 0.346477 ] [ 0.010532 0.136907 0.153523 ] [ 0.989468 0.863093 0.846477 ] [ 0.489468 0.636907 0.653523 ] [ 0.010532 0.363093 0.653523 ] [ 0.510532 0.136907 0.846477 ] [ 0.25 0.5 0.560103 ] [ 0.75 0 0.939897 ] [ 0.75 0.5 0.439897 ] [ 0.25 0 0.060103 ] [ 0.550737 0.353374 0.934932 ] [ 0.050737 0.146626 0.565068 ] [ 0.449263 0.853374 0.565068 ] [ 0.949263 0.646626 0.934932 ] [ 0.449263 0.646626 0.065068 ] [ 0.949263 0.853374 0.434932 ] [ 0.550737 0.146626 0.434932 ] [ 0.050737 0.353374 0.065068 ] [ 0.186432 0.191301 0.294036 ] [ 0.686432 0.308699 0.205964 ] [ 0.813568 0.691301 0.205964 ] [ 0.313568 0.808699 0.294036 ] [ 0.813568 0.808699 0.705964 ] [ 0.313568 0.691301 0.794036 ] [ 0.186432 0.308699 0.794036 ] [ 0.686432 0.191301 0.705964 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "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" 6.0440361 "source-unit" "angstrom" } "b" { "source-value" 7.39787069 "source-unit" "angstrom" } "c" { "source-value" 10.83451833 "source-unit" "angstrom" } }