{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.761301 0.330379 ] [ 0.25 0.238699 0.669621 ] [ 0.75 0.261301 0.169621 ] [ 0.25 0.738699 0.830379 ] [ 0.25 0.580695 0.096467 ] [ 0.75 0.419305 0.903533 ] [ 0.25 0.080695 0.403533 ] [ 0.75 0.919305 0.596467 ] [ 0.75 0.441046 0.390234 ] [ 0.25 0.558954 0.609766 ] [ 0.75 0.941046 0.109766 ] [ 0.25 0.058954 0.890234 ] [ 0.25 0.972509 0.715807 ] [ 0.75 0.027491 0.284193 ] [ 0.25 0.472509 0.784193 ] [ 0.75 0.527491 0.215807 ] [ 0.25 0.87322 0.471639 ] [ 0.75 0.12678 0.528361 ] [ 0.25 0.37322 0.028361 ] [ 0.75 0.62678 0.971639 ] [ 0.25 0.795319 0.159682 ] [ 0.75 0.204681 0.840318 ] [ 0.25 0.295319 0.340318 ] [ 0.75 0.704681 0.659682 ] [ 0.75 0.910184 0.924056 ] [ 0.25 0.089816 0.075944 ] [ 0.75 0.410184 0.575944 ] [ 0.25 0.589816 0.424056 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.47581063 "source-unit" "angstrom" } "b" { "source-value" 13.79725927 "source-unit" "angstrom" } "c" { "source-value" 16.26826192 "source-unit" "angstrom" } }