{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.265261 0.458134 ] [ 0.75 0.234739 0.958134 ] [ 0.25 0.765261 0.041866 ] [ 0.75 0.734739 0.541866 ] [ 0.25 0.919423 0.784067 ] [ 0.75 0.080577 0.215933 ] [ 0.25 0.419423 0.715933 ] [ 0.75 0.580577 0.284067 ] [ 0.75 0.621102 0.868829 ] [ 0.75 0.121102 0.631171 ] [ 0.25 0.378898 0.131171 ] [ 0.25 0.878898 0.368829 ] [ 0.25 0.48358 0.903506 ] [ 0.75 0.51642 0.096494 ] [ 0.25 0.98358 0.596494 ] [ 0.75 0.01642 0.403506 ] [ 0.25 0.621663 0.427729 ] [ 0.75 0.378337 0.572271 ] [ 0.25 0.121663 0.072271 ] [ 0.75 0.681223 0.725096 ] [ 0.25 0.818777 0.225096 ] [ 0.75 0.181223 0.774904 ] [ 0.25 0.318777 0.274904 ] [ 0.75 0.878337 0.927729 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Cd" "Cd" "Cd" "Cd" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.39563286 "source-unit" "angstrom" } "b" { "source-value" 9.06803817 "source-unit" "angstrom" } "c" { "source-value" 17.5050022 "source-unit" "angstrom" } }