{ "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" [ [ 0.294287 0.132907 0.7843 ] [ 0.774806 0.877671 0.202173 ] [ 0.079436 0.512474 0.917146 ] [ 0.723157 0.455992 0.162646 ] [ 0.488232 0.756103 0.699099 ] [ 0.426248 0.221313 0.311316 ] [ 0.334588 0.240135 0.545383 ] [ 0.743718 0.758204 0.441137 ] [ 0.241329 0.926305 0.134359 ] [ 0.763083 0.087473 0.865546 ] [ 0.124167 0.424787 0.827454 ] [ 0.84439 0.594874 0.141183 ] [ 0.371404 0.801196 0.80746 ] [ 0.588708 0.211817 0.201719 ] ] } "species" { "source-value" [ "Mo" "Mo" "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" 3.82727033071 "source-unit" "angstrom" } "b" { "source-value" 6.12000224116 "source-unit" "angstrom" } "c" { "source-value" 7.65116083627 "source-unit" "angstrom" } "alpha" { "source-value" 69.4253785316 "source-unit" "degree" } "beta" { "source-value" 82.2357589335 "source-unit" "degree" } "gamma" { "source-value" 75.9945309531 "source-unit" "degree" } }