{ "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" [ [ 0.704451 0.70487 0.405673 ] [ 0.577312 0.553084 0.139215 ] [ 0.297915 0.299779 0.594496 ] [ 0.453295 0.431143 0.860928 ] [ 0.006617 0.998422 0.000015 ] [ 0.864276 0.85994 0.716264 ] [ 0.149339 0.143839 0.283814 ] [ 0.145693 0.645046 0.281779 ] [ 0.364261 0.859922 0.719169 ] [ 0.896044 0.931505 0.858391 ] [ 0.804136 0.789962 0.574639 ] [ 0.076556 0.114891 0.1417 ] [ 0.508033 0.000151 0.006522 ] [ 0.648701 0.144587 0.281373 ] [ 0.859639 0.360404 0.717396 ] [ 0.999538 0.496743 0.993265 ] [ 0.232393 0.217911 0.425363 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Pb" "Pb" "Pb" "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" 4.3830566 "source-unit" "angstrom" } "b" { "source-value" 4.38255134 "source-unit" "angstrom" } "c" { "source-value" 15.68890097 "source-unit" "angstrom" } "alpha" { "source-value" 97.94689869 "source-unit" "degree" } "beta" { "source-value" 97.95616605 "source-unit" "degree" } "gamma" { "source-value" 90.01110768 "source-unit" "degree" } }