{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.230924 0.999037 ] [ 0 0.273554 0.339349 ] [ 0 0.274898 0.659892 ] [ 0.5 0.725102 0.159892 ] [ 0.5 0.769076 0.499037 ] [ 0.5 0.726446 0.839349 ] [ 0.5 0.448379 0.269157 ] [ 0.5 0.455611 0.599497 ] [ 0.5 0.43385 0.937472 ] [ 0 0.544389 0.099497 ] [ 0 0.551621 0.769157 ] [ 0 0.56615 0.437472 ] [ 0 0.951379 0.566495 ] [ 0 0.938025 0.896353 ] [ 0.5 0.048621 0.066495 ] [ 0.5 0.061975 0.396353 ] [ 0 0.948745 0.232714 ] [ 0.5 0.051255 0.732714 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.007657 "source-unit" "angstrom" } "b" { "source-value" 4.53567111 "source-unit" "angstrom" } "c" { "source-value" 13.59994413 "source-unit" "angstrom" } }