{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.528386 0.191137 ] [ 0 0.971614 0.691137 ] [ 0 0.028386 0.308863 ] [ 0.5 0.471614 0.808863 ] [ 0.5 0.246697 0.664196 ] [ 0 0.746697 0.835804 ] [ 0 0.253303 0.164196 ] [ 0.5 0.753303 0.335804 ] [ 0.5 0.24078 0.916509 ] [ 0 0.74078 0.583491 ] [ 0.5 0.75922 0.083491 ] [ 0 0.25922 0.416509 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Te" "Te" "Te" "Te" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.16141595 "source-unit" "angstrom" } "b" { "source-value" 5.98308766 "source-unit" "angstrom" } "c" { "source-value" 15.90599825 "source-unit" "angstrom" } }