{ "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 0.837676 0.946216 ] [ 0.25 0.162324 0.053784 ] [ 0.25 0.662324 0.446216 ] [ 0.75 0.337676 0.553784 ] [ 0.75 0.558604 0.176806 ] [ 0.25 0.441396 0.823194 ] [ 0.25 0.941396 0.676806 ] [ 0.75 0.058604 0.323194 ] [ 0.25 0.27492 0.202792 ] [ 0.75 0.817581 0.50539 ] [ 0.75 0.483021 0.402592 ] [ 0.75 0.983021 0.097408 ] [ 0.75 0.317581 0.99461 ] [ 0.25 0.016979 0.902592 ] [ 0.75 0.22508 0.702792 ] [ 0.25 0.516979 0.597408 ] [ 0.25 0.182419 0.49461 ] [ 0.25 0.77492 0.297208 ] [ 0.25 0.682419 0.00539 ] [ 0.75 0.72508 0.797208 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Tl" "Tl" "Tl" "Tl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.86639381 "source-unit" "angstrom" } "b" { "source-value" 9.18479306 "source-unit" "angstrom" } "c" { "source-value" 14.80879218 "source-unit" "angstrom" } }