{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.718688 0.815021 0.594914 ] [ 0.497171 0.313039 0.001402 ] [ 0.133058 0.448157 0.407845 ] [ 0.226891 0.696789 0.687036 ] [ 0.872591 0.864138 0.050664 ] [ 0.070986 0.13769 0.975351 ] [ 0.726798 0.305475 0.360258 ] [ 0.35469 0.824461 0.217012 ] [ 0.461432 0.928132 0.379169 ] [ 0.218108 0.073134 0.155491 ] [ 0.075226 0.680911 0.931409 ] [ 0.515223 0.459877 0.314931 ] [ 0.092892 0.488765 0.644118 ] [ 0.857004 0.47529 0.427321 ] [ 0.453058 0.577022 0.739305 ] [ 0.857723 0.308457 0.102103 ] [ 0.122474 0.725034 0.323641 ] [ 0.733729 0.98138 0.884943 ] [ 0.359958 0.024027 0.551988 ] ] } "species" { "source-value" [ "Ba" "Ba" "As" "As" "As" "As" "As" "As" "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" 7.02232448 "source-unit" "angstrom" } "b" { "source-value" 7.03369931 "source-unit" "angstrom" } "c" { "source-value" 7.4968443 "source-unit" "angstrom" } "alpha" { "source-value" 81.67001191 "source-unit" "degree" } "beta" { "source-value" 73.88259541 "source-unit" "degree" } "gamma" { "source-value" 78.02893841 "source-unit" "degree" } }