{ "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" [ [ 0.515011 0.828429 0.651133 ] [ 0.511685 0.487849 0.001426 ] [ 0.495617 0.1704 0.340148 ] [ 0.022548 0.341783 0.685256 ] [ 0.977838 0.657132 0.311126 ] [ 0.981766 0.011493 0.007675 ] [ 0.807518 0.7079 0.092098 ] [ 0.69729 0.201525 0.121512 ] [ 0.689874 0.537183 0.762655 ] [ 0.698038 0.877127 0.425025 ] [ 0.30926 0.136446 0.561968 ] [ 0.304193 0.453714 0.241168 ] [ 0.190635 0.288312 0.9058 ] [ 0.809391 0.373054 0.444529 ] [ 0.801129 0.035094 0.768638 ] [ 0.295388 0.800367 0.891533 ] [ 0.204514 0.952692 0.228036 ] [ 0.188305 0.639499 0.560271 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "F" "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" 4.69503709 "source-unit" "angstrom" } "b" { "source-value" 5.61679051 "source-unit" "angstrom" } "c" { "source-value" 7.77444666 "source-unit" "angstrom" } "alpha" { "source-value" 85.08255385 "source-unit" "degree" } "beta" { "source-value" 88.08746928 "source-unit" "degree" } "gamma" { "source-value" 87.68478879 "source-unit" "degree" } }