{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.10429 0.419446 0.882426 ] [ 0.598291 0.077953 0.865936 ] [ 0.10429 0.919446 0.617574 ] [ 0.598291 0.577953 0.634064 ] [ 0.098291 0.422047 0.365936 ] [ 0.60429 0.080554 0.382426 ] [ 0.098291 0.922047 0.134064 ] [ 0.60429 0.580554 0.117574 ] [ 0.482752 0.399626 0.87643 ] [ 0.482752 0.899626 0.62357 ] [ 0.982752 0.100374 0.37643 ] [ 0.982752 0.600374 0.12357 ] [ 0.980665 0.079397 0.876084 ] [ 0.980665 0.579397 0.623916 ] [ 0.480665 0.420603 0.376084 ] [ 0.480665 0.920603 0.123916 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "C" "C" "C" "C" "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" 5.11948205 "source-unit" "angstrom" } "b" { "source-value" 5.64062499 "source-unit" "angstrom" } "c" { "source-value" 6.31614635 "source-unit" "angstrom" } }