{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.093668 0.25 ] [ 0.75 0.906332 0.75 ] [ 0.25 0.588437 0.048662 ] [ 0.75 0.411563 0.951338 ] [ 0.75 0.411563 0.548662 ] [ 0.25 0.588437 0.451338 ] [ 0.75 0.693448 0.25 ] [ 0.25 0.306552 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Li" "Li" "Li" "Li" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.66525114 "source-unit" "angstrom" } "b" { "source-value" 6.37399978 "source-unit" "angstrom" } "c" { "source-value" 6.69409652 "source-unit" "angstrom" } }