{ "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 ] [ 0.089262 0.394247 0.802054 ] [ 0.643648 0.579743 0.692092 ] [ 0.356352 0.420257 0.307908 ] [ 0.910738 0.605753 0.197946 ] [ 0.499793 0.223579 0.858249 ] [ 0.772374 0.212947 0.386227 ] [ 0.227626 0.787053 0.613773 ] [ 0.500207 0.776421 0.141751 ] [ 0.78893 0.344781 0.960875 ] [ 0.859951 0.232335 0.583253 ] [ 0.52724 0.010566 0.276537 ] [ 0.41863 0.345522 0.757357 ] [ 0.996873 0.191157 0.248636 ] [ 0.68868 0.407639 0.410422 ] [ 0.299124 0.213203 0.011827 ] [ 0.700876 0.786797 0.988173 ] [ 0.31132 0.592361 0.589578 ] [ 0.003127 0.808843 0.751364 ] [ 0.58137 0.654478 0.242643 ] [ 0.47276 0.989434 0.723463 ] [ 0.140049 0.767665 0.416747 ] [ 0.21107 0.655219 0.039125 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "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" 5.68190686 "source-unit" "angstrom" } "b" { "source-value" 7.69938989 "source-unit" "angstrom" } "c" { "source-value" 8.04760787 "source-unit" "angstrom" } "alpha" { "source-value" 114.57464672 "source-unit" "degree" } "beta" { "source-value" 88.59523679 "source-unit" "degree" } "gamma" { "source-value" 107.87576661 "source-unit" "degree" } }