{ "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" [ [ 0.177506 0.92955 0.900516 ] [ 0.822494 0.07045 0.099484 ] [ 0.228825 0.403017 0.535143 ] [ 0.462178 0.767077 0.591175 ] [ 0.398333 0.539054 0.231068 ] [ 0.601667 0.460946 0.768932 ] [ 0.537822 0.232923 0.408825 ] [ 0.771175 0.596983 0.464857 ] [ 0.131988 0.706415 0.372534 ] [ 0.296078 0.605236 0.860316 ] [ 0.194192 0.198238 0.191226 ] [ 0.386021 0.132166 0.70588 ] [ 0.613979 0.867834 0.29412 ] [ 0.805808 0.801762 0.808774 ] [ 0.703922 0.394764 0.139684 ] [ 0.868012 0.293585 0.627466 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.70672376 "source-unit" "angstrom" } "b" { "source-value" 6.70666462 "source-unit" "angstrom" } "c" { "source-value" 6.72212438 "source-unit" "angstrom" } "alpha" { "source-value" 95.37876648 "source-unit" "degree" } "beta" { "source-value" 98.49433479 "source-unit" "degree" } "gamma" { "source-value" 97.44552376 "source-unit" "degree" } }