{ "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 0.760803 0.612438 ] [ 0.75 0.239197 0.387562 ] [ 0.25 0.260803 0.887562 ] [ 0.75 0.739197 0.112438 ] [ 0.25 0.528149 0.319486 ] [ 0.75 0.471851 0.680514 ] [ 0.25 0.028149 0.180514 ] [ 0.75 0.971851 0.819486 ] [ 0.75 0.355 0.071619 ] [ 0.25 0.645 0.928381 ] [ 0.75 0.855 0.428381 ] [ 0.25 0.145 0.571619 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.17469483 "source-unit" "angstrom" } "b" { "source-value" 6.84929653 "source-unit" "angstrom" } "c" { "source-value" 7.88257968 "source-unit" "angstrom" } }