{ "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" [ [ 0.669417 0.321265 0.994623 ] [ 0.330583 0.678735 0.005377 ] [ 0.211194 0.855462 0.588331 ] [ 0.788806 0.144538 0.411669 ] [ 0.611678 0.669259 0.667502 ] [ 0.388322 0.330741 0.332498 ] [ 0.993138 0.144284 0.803345 ] [ 0.006862 0.855716 0.196655 ] [ 0.273596 0.9409 0.788519 ] [ 0.726404 0.0591 0.211481 ] [ 0.525003 0.552393 0.788486 ] [ 0.474997 0.447607 0.211514 ] [ 0.919829 0.296554 0.78628 ] [ 0.080171 0.703446 0.21372 ] ] } "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" 4.99380030298 "source-unit" "angstrom" } "b" { "source-value" 5.02007487896 "source-unit" "angstrom" } "c" { "source-value" 5.22703903172 "source-unit" "angstrom" } "alpha" { "source-value" 96.3543360656 "source-unit" "degree" } "beta" { "source-value" 105.926630748 "source-unit" "degree" } "gamma" { "source-value" 116.092226991 "source-unit" "degree" } }