{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.997559 0.126987 0.999674 ] [ 0.011578 0.618443 0.001009 ] [ 0.50008 0.378505 0.982253 ] [ 0.011578 0.381557 0.501009 ] [ 0.487791 0.881382 0.01431 ] [ 0.997559 0.873013 0.499674 ] [ 0.50008 0.621495 0.482253 ] [ 0.487791 0.118618 0.51431 ] [ 0.160462 0.280898 0.843721 ] [ 0.154249 0.778445 0.847426 ] [ 0.343087 0.967896 0.668675 ] [ 0.356374 0.478683 0.644381 ] [ 0.160462 0.719102 0.343721 ] [ 0.651451 0.222911 0.844129 ] [ 0.154249 0.221555 0.347426 ] [ 0.84596 0.530995 0.648102 ] [ 0.356374 0.521317 0.144381 ] [ 0.837638 0.030356 0.657462 ] [ 0.343087 0.032104 0.168675 ] [ 0.651451 0.777089 0.344129 ] [ 0.84596 0.469005 0.148102 ] [ 0.837638 0.969644 0.157462 ] [ 0.653769 0.725342 0.848857 ] [ 0.653769 0.274658 0.348857 ] ] } "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" 5.53032121 "source-unit" "angstrom" } "b" { "source-value" 9.28766112 "source-unit" "angstrom" } "c" { "source-value" 5.54552321 "source-unit" "angstrom" } "beta" { "source-value" 114.50773875 "source-unit" "degree" } }