{ "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 0 0 ] [ 0.379981 0.69301 0.230112 ] [ 0.620019 0.30699 0.769888 ] [ 0.185024 0.470536 0.809311 ] [ 0.480928 0.246241 0.333905 ] [ 0.814976 0.529464 0.190689 ] [ 0.519072 0.753759 0.666095 ] [ 0.779162 0.355052 0.032625 ] [ 0.431204 0.021925 0.219229 ] [ 0.220838 0.644948 0.967375 ] [ 0.937234 0.327586 0.739209 ] [ 0.568796 0.978075 0.780771 ] [ 0.740048 0.39623 0.339641 ] [ 0.473645 0.232994 0.518869 ] [ 0.685622 0.640503 0.758539 ] [ 0.669373 0.687883 0.157973 ] [ 0.526355 0.767006 0.481131 ] [ 0.259952 0.60377 0.660359 ] [ 0.330627 0.312117 0.842027 ] [ 0.062766 0.672414 0.260791 ] [ 0.314378 0.359497 0.241461 ] ] } "species" { "source-value" [ "Ba" "V" "V" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "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" 6.25977862332 "source-unit" "angstrom" } "b" { "source-value" 6.38351854635 "source-unit" "angstrom" } "c" { "source-value" 8.05077804109 "source-unit" "angstrom" } "alpha" { "source-value" 96.3293509529 "source-unit" "degree" } "beta" { "source-value" 101.362356427 "source-unit" "degree" } "gamma" { "source-value" 105.95112864 "source-unit" "degree" } }