{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.484584 0.943765 0.25 ] [ 0.984584 0.556235 0.75 ] [ 0.015416 0.443765 0.25 ] [ 0.515416 0.056235 0.75 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.619083 0.553825 0.25 ] [ 0.119083 0.946175 0.75 ] [ 0.880917 0.053825 0.25 ] [ 0.380917 0.446175 0.75 ] [ 0.808588 0.304441 0.936886 ] [ 0.308588 0.195559 0.063114 ] [ 0.691412 0.804441 0.563114 ] [ 0.191412 0.695559 0.436886 ] [ 0.808588 0.304441 0.563114 ] [ 0.308588 0.195559 0.436886 ] [ 0.691412 0.804441 0.936886 ] [ 0.191412 0.695559 0.063114 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.61993819 "source-unit" "angstrom" } "b" { "source-value" 5.83364959 "source-unit" "angstrom" } "c" { "source-value" 8.12383958 "source-unit" "angstrom" } }