{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.486107 0.75 0.220903 ] [ 0.986107 0.25 0.279097 ] [ 0.513893 0.25 0.779097 ] [ 0.013893 0.75 0.720903 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.928307 0.75 0.403523 ] [ 0.428307 0.25 0.096477 ] [ 0.071693 0.25 0.596477 ] [ 0.571693 0.75 0.903523 ] [ 0.211802 0.46337 0.665474 ] [ 0.711802 0.53663 0.834526 ] [ 0.788198 0.96337 0.334526 ] [ 0.288198 0.03663 0.165474 ] [ 0.788198 0.53663 0.334526 ] [ 0.288198 0.46337 0.165474 ] [ 0.211802 0.03663 0.665474 ] [ 0.711802 0.96337 0.834526 ] [ 0.789363 0.75 0.547326 ] [ 0.289363 0.25 0.952674 ] [ 0.210637 0.25 0.452674 ] [ 0.710637 0.75 0.047326 ] [ 0.235233 0.75 0.908244 ] [ 0.735233 0.25 0.591756 ] [ 0.764767 0.25 0.091756 ] [ 0.264767 0.75 0.408244 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "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" 4.88436307 "source-unit" "angstrom" } "b" { "source-value" 6.1680271 "source-unit" "angstrom" } "c" { "source-value" 10.62431597 "source-unit" "angstrom" } }