{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.661352 0.5 ] [ 0.019921 0 0.25 ] [ 0 0.338648 0 ] [ 0.980079 0 0.75 ] [ 0.5 0.161352 0.5 ] [ 0.519921 0.5 0.25 ] [ 0.5 0.838648 0 ] [ 0.480079 0.5 0.75 ] [ 0.018469 0.667634 0.137842 ] [ 0.981531 0.667634 0.862158 ] [ 0.981531 0.332366 0.637842 ] [ 0.018469 0.332366 0.362158 ] [ 0.518469 0.167634 0.137842 ] [ 0.481531 0.167634 0.862158 ] [ 0.481531 0.832366 0.637842 ] [ 0.518469 0.832366 0.362158 ] [ 0.726126 0.908498 0.51733 ] [ 0 0.820074 0 ] [ 0.273874 0.908498 0.48267 ] [ 0 0.179926 0.5 ] [ 0.273874 0.091502 0.01733 ] [ 0.197048 0.750848 0.728671 ] [ 0.802952 0.249152 0.228671 ] [ 0.445849 0 0.75 ] [ 0.554151 0 0.25 ] [ 0.726126 0.091502 0.98267 ] [ 0.197048 0.249152 0.771329 ] [ 0.802952 0.750848 0.271329 ] [ 0.226126 0.408498 0.51733 ] [ 0.5 0.320074 0 ] [ 0.773874 0.408498 0.48267 ] [ 0.5 0.679926 0.5 ] [ 0.773874 0.591502 0.01733 ] [ 0.697048 0.250848 0.728671 ] [ 0.302952 0.749152 0.228671 ] [ 0.945849 0.5 0.75 ] [ 0.054151 0.5 0.25 ] [ 0.226126 0.591502 0.98267 ] [ 0.697048 0.749152 0.771329 ] [ 0.302952 0.250848 0.271329 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.55125564446 "source-unit" "angstrom" } "b" { "source-value" 9.57293754418 "source-unit" "angstrom" } "c" { "source-value" 9.28911489 "source-unit" "angstrom" } }