{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.847873 0.68849 0.001744 ] [ 0.170235 0.330839 0.999354 ] [ 0.522117 0.879681 0.215734 ] [ 0.287918 0.178487 0.418437 ] [ 0.079215 0.55447 0.614811 ] [ 0.754065 0.319819 0.237705 ] [ 0.469778 0.118469 0.77345 ] [ 0.724544 0.844943 0.591891 ] [ 0.438268 0.29425 0.783811 ] [ 0.958406 0.47876 0.228222 ] [ 0.065336 0.548961 0.799861 ] [ 0.231287 0.094665 0.212788 ] [ 0.578105 0.722605 0.22513 ] [ 0.797952 0.928561 0.798263 ] ] } "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" 4.95956217462 "source-unit" "angstrom" } "b" { "source-value" 5.14808021353 "source-unit" "angstrom" } "c" { "source-value" 5.19558490823 "source-unit" "angstrom" } "alpha" { "source-value" 103.446785564 "source-unit" "degree" } "beta" { "source-value" 98.7232125999 "source-unit" "degree" } "gamma" { "source-value" 118.002101861 "source-unit" "degree" } }