{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.785964 0.84548 ] [ 0 0.285964 0.65452 ] [ 0.5 0.791396 0.074269 ] [ 0.5 0.708604 0.574269 ] [ 0.5 0.291396 0.425731 ] [ 0.5 0.208604 0.925731 ] [ 0 0.714036 0.34548 ] [ 0 0.214036 0.15452 ] ] } "species" { "source-value" [ "Mn" "Mn" "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" 2.96138482 "source-unit" "angstrom" } "b" { "source-value" 4.80763026 "source-unit" "angstrom" } "c" { "source-value" 9.30868909 "source-unit" "angstrom" } }