{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "species" { "source-value" [ "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "short-name" { "source-value" "orthorhombic" } "basis-atom-coordinates" { "source-value" [ [ 0.000000000 0.1100000000 0.1350000000 ] [ 0.5000000000 0.1100000000 0.6350000000 ] [ 0.000000000 0.8900000000 0.8650000000 ] [ 0.5000000000 0.8900000000 0.3650000000 ] [ 0.000000000 0.3900000000 0.6350000000 ] [ 0.5000000000 0.3900000000 0.1350000000 ] [ 0.000000000 0.6100000000 0.3650000000 ] [ 0.5000000000 0.6100000000 0.8650000000 ] ] } "space-group" { "source-value" "Bmab" } "wyckoff-multiplicity-and-letter" { "source-value" [ "8f" ] } "wyckoff-coordinates" { "source-value" [ [ 0 0.11 0.135 ] ] } "wyckoff-species" { "source-value" [ "Br" ] } "temperature" { "source-unit" "C" "source-value" -150 } "cauchy-stress" { "source-unit" "atm" "source-value" [ -1 -1 -1 0 0 0 ] } "a" { "source-unit" "angstrom" "source-value" 6.67 } "b" { "source-unit" "angstrom" "source-value" 8.72 } "c" { "source-unit" "angstrom" "source-value" 4.48 } }