{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.324424 0.333523 0.006887 ] [ 0.675576 0.666477 0.993113 ] [ 0.499418 0.84651 0.401539 ] [ 0.500582 0.15349 0.598461 ] [ 0.151382 0.624565 0.365118 ] [ 0.848618 0.375435 0.634882 ] [ 0.892849 0.138073 0.228943 ] [ 0.107151 0.861927 0.771057 ] [ 0.564019 0.936895 0.205492 ] [ 0.435981 0.063105 0.794508 ] [ 0.31189 0.553516 0.208402 ] [ 0.68811 0.446484 0.791598 ] [ 0.918131 0.316575 0.222838 ] [ 0.081869 0.683425 0.777162 ] ] } "species" { "source-value" [ "Al" "Al" "H" "H" "H" "H" "H" "H" "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" 5.07125874791 "source-unit" "angstrom" } "b" { "source-value" 5.16183329715 "source-unit" "angstrom" } "c" { "source-value" 5.63659045564 "source-unit" "angstrom" } "alpha" { "source-value" 64.4899002586 "source-unit" "degree" } "beta" { "source-value" 64.1026304757 "source-unit" "degree" } "gamma" { "source-value" 61.3223938407 "source-unit" "degree" } }