{ "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" [ [ 0.103932 0.175448 0.284153 ] [ 0.796494 0.815349 0.714399 ] [ 0.864914 0.921724 0.908687 ] [ 0.985709 0.077535 0.089223 ] [ 0.648914 0.724164 0.43762 ] [ 0.205911 0.26725 0.561598 ] [ 0.334797 0.371467 0.823935 ] [ 0.538912 0.622861 0.173021 ] [ 0.414341 0.515412 0.000127 ] [ 0.335352 0.868994 0.81914 ] [ 0.294887 0.295302 0.673119 ] [ 0.838674 0.377552 0.831253 ] [ 0.826705 0.765146 0.550969 ] [ 0.917037 0.532152 0.008478 ] [ 0.042749 0.627559 0.18086 ] [ 0.634359 0.695683 0.326668 ] [ 0.53162 0.120544 0.167023 ] [ 0.281393 0.231095 0.448932 ] [ 0.404388 0.012725 0.991758 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ca" "Ca" "Tl" "Tl" "Cu" "Cu" "Cu" "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" 3.90046807 "source-unit" "angstrom" } "b" { "source-value" 3.90571035 "source-unit" "angstrom" } "c" { "source-value" 18.68960389 "source-unit" "angstrom" } "alpha" { "source-value" 95.70902972 "source-unit" "degree" } "beta" { "source-value" 95.85439264 "source-unit" "degree" } "gamma" { "source-value" 89.91412462 "source-unit" "degree" } }