{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.503365 0.123408 0.370829 ] [ 0.475739 0.386711 0.134688 ] [ 0.496635 0.876592 0.629171 ] [ 0.524261 0.613289 0.865312 ] [ 0.982316 0.754522 0.264066 ] [ 0 0.5 0.5 ] [ 0.017684 0.245478 0.735934 ] [ 0 0 0 ] [ 0.196527 0.28441 0.518451 ] [ 0.18005 0.533233 0.287639 ] [ 0.187809 0.030486 0.780924 ] [ 0.306718 0.904775 0.404481 ] [ 0.307299 0.153451 0.149418 ] [ 0.309279 0.403015 0.903211 ] [ 0.30921 0.654846 0.658976 ] [ 0.690721 0.596985 0.096789 ] [ 0.69079 0.345154 0.341024 ] [ 0.692701 0.846549 0.850582 ] [ 0.693282 0.095225 0.595519 ] [ 0.803473 0.71559 0.481549 ] [ 0.812191 0.969514 0.219076 ] [ 0.81995 0.466767 0.712361 ] [ 0.199697 0.771256 0.028691 ] [ 0.800303 0.228744 0.971309 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 4.6456035 "source-unit" "angstrom" } "b" { "source-value" 7.54737513 "source-unit" "angstrom" } "c" { "source-value" 7.59231027 "source-unit" "angstrom" } "alpha" { "source-value" 104.24729263 "source-unit" "degree" } "beta" { "source-value" 91.58467769 "source-unit" "degree" } "gamma" { "source-value" 90.91365001 "source-unit" "degree" } }