{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.179219 0.75 ] [ 0 0.820781 0.25 ] [ 0.5 0.679219 0.75 ] [ 0.5 0.320781 0.25 ] [ 0 0.136769 0.440919 ] [ 0 0.136769 0.059081 ] [ 0 0.863231 0.940919 ] [ 0 0.863231 0.559081 ] [ 0.5 0.636769 0.440919 ] [ 0.5 0.636769 0.059081 ] [ 0.5 0.363231 0.940919 ] [ 0.5 0.363231 0.559081 ] [ 0 0.047031 0.880742 ] [ 0 0.047031 0.619258 ] [ 0.5 0.192406 0.075427 ] [ 0.5 0.192406 0.424573 ] [ 0 0.248699 0.25 ] [ 0 0.751301 0.75 ] [ 0.5 0.807594 0.924573 ] [ 0.5 0.807594 0.575427 ] [ 0 0.952969 0.380742 ] [ 0 0.952969 0.119258 ] [ 0.5 0.547031 0.880742 ] [ 0.5 0.547031 0.619258 ] [ 0 0.692406 0.075427 ] [ 0 0.692406 0.424573 ] [ 0.5 0.748699 0.25 ] [ 0.5 0.251301 0.75 ] [ 0 0.307594 0.924573 ] [ 0 0.307594 0.575427 ] [ 0.5 0.452969 0.380742 ] [ 0.5 0.452969 0.119258 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "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" 3.66101793 "source-unit" "angstrom" } "b" { "source-value" 9.9349104 "source-unit" "angstrom" } "c" { "source-value" 10.08881249 "source-unit" "angstrom" } }