{ "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" [ [ 0.003402 0.245503 0.999528 ] [ 0.17141 0.259921 0.194001 ] [ 0.376274 0.270667 0.400015 ] [ 0.649472 0.227582 0.607224 ] [ 0.823318 0.275667 0.801752 ] [ 0.649472 0.772418 0.107224 ] [ 0.003402 0.754497 0.499528 ] [ 0.823318 0.724333 0.301752 ] [ 0.17141 0.740079 0.694001 ] [ 0.376274 0.729333 0.900015 ] [ 0.88537 0.429275 0.701035 ] [ 0.077812 0.424519 0.903582 ] [ 0.901018 0.940647 0.590619 ] [ 0.88537 0.570725 0.201035 ] [ 0.077812 0.575481 0.403582 ] [ 0.901018 0.059353 0.090619 ] [ 0.306688 0.465618 0.091828 ] [ 0.49357 0.456974 0.298653 ] [ 0.70497 0.447754 0.504119 ] [ 0.314364 0.948724 0.006077 ] [ 0.508933 0.9532 0.202105 ] [ 0.695686 0.950305 0.398265 ] [ 0.087713 0.949098 0.801199 ] [ 0.70497 0.552246 0.004119 ] [ 0.306688 0.534382 0.591828 ] [ 0.49357 0.543026 0.798653 ] [ 0.314364 0.051276 0.506077 ] [ 0.087713 0.050902 0.301199 ] [ 0.695686 0.049695 0.898265 ] [ 0.508933 0.0468 0.702105 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 4.8342666 "source-unit" "angstrom" } "b" { "source-value" 4.82493189 "source-unit" "angstrom" } "c" { "source-value" 16.36254832 "source-unit" "angstrom" } "beta" { "source-value" 106.9860597 "source-unit" "degree" } }