{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.752181 0.567549 ] [ 0.25 0.747819 0.067549 ] [ 0.75 0.247819 0.432451 ] [ 0.75 0.252181 0.932451 ] [ 0.75 0.576508 0.225571 ] [ 0.75 0.923492 0.725571 ] [ 0.25 0.423492 0.774429 ] [ 0.25 0.076508 0.274429 ] [ 0.75 0.751531 0.961684 ] [ 0.75 0.748469 0.461684 ] [ 0.25 0.248469 0.038316 ] [ 0.25 0.251531 0.538316 ] [ 0.75 0.757799 0.168073 ] [ 0.75 0.742201 0.668073 ] [ 0.25 0.242201 0.831927 ] [ 0.25 0.257799 0.331927 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "H" "H" "H" "H" "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" 2.90003345 "source-unit" "angstrom" } "b" { "source-value" 3.71219466 "source-unit" "angstrom" } "c" { "source-value" 12.41558586 "source-unit" "angstrom" } }