{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.491612 0.833805 0.667956 ] [ 0.512269 0.496603 0.987176 ] [ 0.533676 0.168737 0.344995 ] [ 0.009489 0.334549 0.669125 ] [ 0.949429 0.657171 0.325048 ] [ 0.003348 0.003468 0.003355 ] [ 0.818355 0.363877 0.442744 ] [ 0.803626 0.711561 0.09591 ] [ 0.696568 0.20868 0.105295 ] [ 0.698806 0.542288 0.758085 ] [ 0.68751 0.863644 0.444849 ] [ 0.306655 0.12855 0.570644 ] [ 0.302621 0.793789 0.891848 ] [ 0.188429 0.29303 0.895245 ] [ 0.799699 0.036982 0.768917 ] [ 0.304234 0.469601 0.235142 ] [ 0.196448 0.961213 0.239137 ] [ 0.197226 0.632453 0.554529 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.69479514 "source-unit" "angstrom" } "b" { "source-value" 5.59838589 "source-unit" "angstrom" } "c" { "source-value" 7.69033593 "source-unit" "angstrom" } "alpha" { "source-value" 85.4566052 "source-unit" "degree" } "beta" { "source-value" 88.84244532 "source-unit" "degree" } "gamma" { "source-value" 87.8064898 "source-unit" "degree" } }