{ "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" [ [ 0.331622 0 0.75 ] [ 0.668378 0 0.25 ] [ 0.831622 0.5 0.75 ] [ 0.168378 0.5 0.25 ] [ 0 0.205035 0.5 ] [ 0 0.794965 0 ] [ 0.07838 0 0.25 ] [ 0.92162 0 0.75 ] [ 0.272345 0.191811 0.25 ] [ 0.727655 0.808189 0.75 ] [ 0.272345 0.808189 0.25 ] [ 0.727655 0.191811 0.75 ] [ 0 0.205035 0 ] [ 0 0.794965 0.5 ] [ 0.5 0.705035 0.5 ] [ 0.5 0.294965 0 ] [ 0.57838 0.5 0.25 ] [ 0.42162 0.5 0.75 ] [ 0.772345 0.691811 0.25 ] [ 0.227655 0.308189 0.75 ] [ 0.772345 0.308189 0.25 ] [ 0.227655 0.691811 0.75 ] [ 0.5 0.705035 0 ] [ 0.5 0.294965 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.48935887754 "source-unit" "angstrom" } "b" { "source-value" 10.9253323095 "source-unit" "angstrom" } "c" { "source-value" 5.33743543 "source-unit" "angstrom" } }