{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0.796494 ] [ 0.5 0 0.203506 ] [ 0 0.5 0.296494 ] [ 0 0.5 0.703506 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.760543 0.151851 ] [ 0 0.239457 0.848149 ] [ 0 0.760543 0.848149 ] [ 0 0.239457 0.151851 ] [ 0 0.5 0.5 ] [ 0.5 0.260543 0.651851 ] [ 0.5 0.739457 0.348149 ] [ 0.5 0.260543 0.348149 ] [ 0.5 0.739457 0.651851 ] ] } "species" { "source-value" [ "Ba" "Ba" "Tm" "Tm" "Tm" "Tm" "Ni" "Ni" "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" 3.77038422132 "source-unit" "angstrom" } "b" { "source-value" 5.74027906848 "source-unit" "angstrom" } "c" { "source-value" 11.2817892185 "source-unit" "angstrom" } }