{ "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" [ [ 0.59284 0.359144 0.310336 ] [ 0.40716 0.640856 0.689664 ] [ 0.240514 0.027842 0.00427 ] [ 0.759486 0.972158 0.99573 ] [ 0.977843 0.705924 0.376439 ] [ 0.022157 0.294076 0.623561 ] [ 0.066815 0.753961 0.009013 ] [ 0.441197 0.227591 0.029962 ] [ 0.690178 0.870284 0.292935 ] [ 0.218405 0.880691 0.295311 ] [ 0.068669 0.390232 0.356135 ] [ 0.931331 0.609768 0.643865 ] [ 0.781595 0.119309 0.704689 ] [ 0.309822 0.129716 0.707065 ] [ 0.558803 0.772409 0.970038 ] [ 0.933185 0.246039 0.990987 ] ] } "species" { "source-value" [ "Rb" "Rb" "Ta" "Ta" "Ge" "Ge" "S" "S" "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" 7.02748143 "source-unit" "angstrom" } "b" { "source-value" 7.22185798 "source-unit" "angstrom" } "c" { "source-value" 9.1945407 "source-unit" "angstrom" } "alpha" { "source-value" 69.375284 "source-unit" "degree" } "beta" { "source-value" 78.37007461 "source-unit" "degree" } "gamma" { "source-value" 75.82687684 "source-unit" "degree" } }