{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.236194 ] [ 0 0.75 0.763806 ] [ 0.5 0.75 0.263806 ] [ 0.5 0.25 0.736194 ] [ 0 0.75 0.384296 ] [ 0 0.25 0.615704 ] [ 0.5 0.75 0.884296 ] [ 0.5 0.25 0.115704 ] [ 0 0.75 0.100066 ] [ 0 0.25 0.899934 ] [ 0.5 0.75 0.600066 ] [ 0.5 0.25 0.399934 ] [ 0.837093 0.545165 0.308501 ] [ 0.837093 0.045165 0.691499 ] [ 0.744815 0.394738 0.045882 ] [ 0.744815 0.894738 0.954118 ] [ 0.755185 0.894738 0.454118 ] [ 0.755185 0.394738 0.545882 ] [ 0.662907 0.045165 0.191499 ] [ 0.662907 0.545165 0.808501 ] [ 0.337093 0.454835 0.191499 ] [ 0.337093 0.954835 0.808501 ] [ 0.244815 0.605262 0.454118 ] [ 0.244815 0.105262 0.545882 ] [ 0.255185 0.105262 0.045882 ] [ 0.255185 0.605262 0.954118 ] [ 0.162907 0.954835 0.308501 ] [ 0.162907 0.454835 0.691499 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "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" 4.88537248 "source-unit" "angstrom" } "b" { "source-value" 5.36749224 "source-unit" "angstrom" } "c" { "source-value" 12.48572948 "source-unit" "angstrom" } }