{ "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" [ [ 0.353902 0.129233 0.278669 ] [ 0.646098 0.870767 0.721331 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.74829 0.74345 0.249869 ] [ 0.25171 0.25655 0.750131 ] [ 0.617579 0.287582 0.062423 ] [ 0.887902 0.204569 0.436603 ] [ 0.112098 0.795431 0.563397 ] [ 0.382421 0.712418 0.937577 ] [ 0.150362 0.794938 0.141517 ] [ 0.328925 0.679033 0.346953 ] [ 0.671075 0.320967 0.653047 ] [ 0.849638 0.205062 0.858483 ] [ 0.801495 0.159145 0.088751 ] [ 0.35953 0.222936 0.111505 ] [ 0.436455 0.720047 0.095446 ] [ 0.776936 0.503583 0.149875 ] [ 0.154026 0.259946 0.393593 ] [ 0.032364 0.880611 0.163141 ] [ 0.707425 0.336077 0.408596 ] [ 0.481425 0.620634 0.3446 ] [ 0.289062 0.0051 0.654169 ] [ 0.06545 0.78454 0.404334 ] [ 0.93455 0.21546 0.595666 ] [ 0.710938 0.9949 0.345831 ] [ 0.518575 0.379366 0.6554 ] [ 0.292575 0.663923 0.591404 ] [ 0.967636 0.119389 0.836859 ] [ 0.845974 0.740054 0.606407 ] [ 0.223064 0.496417 0.850125 ] [ 0.563545 0.279953 0.904554 ] [ 0.64047 0.777064 0.888495 ] [ 0.198505 0.840855 0.911249 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "V" "V" "P" "P" "P" "P" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "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" 5.24430383 "source-unit" "angstrom" } "b" { "source-value" 7.35176152 "source-unit" "angstrom" } "c" { "source-value" 10.12545207 "source-unit" "angstrom" } "alpha" { "source-value" 103.31880866 "source-unit" "degree" } "beta" { "source-value" 99.32007804 "source-unit" "degree" } "gamma" { "source-value" 103.92782959 "source-unit" "degree" } }