{ "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 ] [ 0.567425 0.416517 0.23325 ] [ 0.432575 0.583483 0.76675 ] [ 0.418016 0.233525 0.563887 ] [ 0.581984 0.766475 0.436113 ] [ 0.241776 0.563699 0.419526 ] [ 0.758224 0.436301 0.580474 ] [ 0.260991 0.24574 0.25218 ] [ 0.739009 0.75426 0.74782 ] [ 0.39204 0.73021 0.125827 ] [ 0.60796 0.26979 0.874173 ] [ 0.73358 0.123171 0.386711 ] [ 0.26642 0.876829 0.613289 ] [ 0.125682 0.391617 0.733124 ] [ 0.874318 0.608383 0.266876 ] ] } "species" { "source-value" [ "Ba" "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" 6.65851547482 "source-unit" "angstrom" } "b" { "source-value" 6.73156351311 "source-unit" "angstrom" } "c" { "source-value" 6.79470460015 "source-unit" "angstrom" } "alpha" { "source-value" 89.1125940435 "source-unit" "degree" } "beta" { "source-value" 89.2487839472 "source-unit" "degree" } "gamma" { "source-value" 87.9148673781 "source-unit" "degree" } }