{ "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" [ [ 0.75 0.847207 0.921425 ] [ 0.25 0.152793 0.078575 ] [ 0.75 0.347207 0.578575 ] [ 0.25 0.652793 0.421425 ] [ 0.75 0.978171 0.322142 ] [ 0.25 0.021829 0.677858 ] [ 0.75 0.478171 0.177858 ] [ 0.25 0.521829 0.822142 ] [ 0.75 0.752425 0.604459 ] [ 0.25 0.247575 0.395541 ] [ 0.75 0.252425 0.895541 ] [ 0.25 0.747575 0.104459 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.68653543 "source-unit" "angstrom" } "b" { "source-value" 8.84096328 "source-unit" "angstrom" } "c" { "source-value" 10.75002608 "source-unit" "angstrom" } }