{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.502619 0.743079 0.741535 ] [ 0.497381 0.256921 0.258465 ] [ 0.5 0 0.5 ] [ 0.502619 0.256921 0.741535 ] [ 0.497381 0.743079 0.258465 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.907322 0.5 0.165232 ] [ 0.092678 0.5 0.834768 ] [ 0.081752 0 0.330655 ] [ 0.918248 0 0.669345 ] [ 0.25817 0.285104 0.902832 ] [ 0.245141 0.5 0.166428 ] [ 0.25817 0.714896 0.902832 ] [ 0.255879 0 0.191477 ] [ 0.74183 0.714896 0.097168 ] [ 0.224742 0.784116 0.406533 ] [ 0.74183 0.285104 0.097168 ] [ 0.224742 0.215884 0.406533 ] [ 0.775258 0.784116 0.593467 ] [ 0.74334 0 0.333135 ] [ 0.227957 0.5 0.686624 ] [ 0.25666 0 0.666865 ] [ 0.754859 0.5 0.833572 ] [ 0.772043 0.5 0.313376 ] [ 0.744121 0 0.808523 ] [ 0.775258 0.215884 0.593467 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.80034779324 "source-unit" "angstrom" } "b" { "source-value" 6.08091094 "source-unit" "angstrom" } "c" { "source-value" 10.4807283079 "source-unit" "angstrom" } "beta" { "source-value" 90.0809327186 "source-unit" "degree" } }