{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.171019 0.245442 0.146249 ] [ 0.828981 0.745442 0.353751 ] [ 0.171019 0.254558 0.646249 ] [ 0.828981 0.754558 0.853751 ] [ 0.333082 0.543828 0.855764 ] [ 0.733229 0.521141 0.610041 ] [ 0.733229 0.978859 0.110041 ] [ 0.666918 0.043828 0.644236 ] [ 0.266771 0.021141 0.889959 ] [ 0.164399 0.794805 0.609361 ] [ 0.835601 0.294805 0.890639 ] [ 0.666918 0.456172 0.144236 ] [ 0.266771 0.478859 0.389959 ] [ 0.333082 0.956172 0.355764 ] [ 0.164399 0.705195 0.109361 ] [ 0.835601 0.205195 0.390639 ] [ 0.661854 0.533084 0.269691 ] [ 0.677682 0.580433 0.479599 ] [ 0.149321 0.691809 0.822454 ] [ 0.36196 0.83499 0.545476 ] [ 0.149321 0.808191 0.322454 ] [ 0.531544 0.673924 0.860535 ] [ 0.844302 0.02632 0.318633 ] [ 0.338146 0.466916 0.730309 ] [ 0.322318 0.419567 0.520401 ] [ 0.155698 0.52632 0.181367 ] [ 0.677682 0.919567 0.979599 ] [ 0.964733 0.832445 0.509097 ] [ 0.225281 0.291353 0.323751 ] [ 0.019979 0.970437 0.88763 ] [ 0.661854 0.966916 0.769691 ] [ 0.980021 0.029563 0.11237 ] [ 0.322318 0.080433 0.020401 ] [ 0.531544 0.826076 0.360535 ] [ 0.774719 0.791353 0.176249 ] [ 0.019979 0.529563 0.38763 ] [ 0.850679 0.191809 0.677546 ] [ 0.155698 0.97368 0.681367 ] [ 0.850679 0.308191 0.177546 ] [ 0.035267 0.332445 0.990903 ] [ 0.980021 0.470437 0.61237 ] [ 0.774719 0.708647 0.676249 ] [ 0.338146 0.033084 0.230309 ] [ 0.844302 0.47368 0.818633 ] [ 0.964733 0.667555 0.009097 ] [ 0.468456 0.326076 0.139465 ] [ 0.36196 0.66501 0.045476 ] [ 0.468456 0.173924 0.639465 ] [ 0.035267 0.167555 0.490903 ] [ 0.63804 0.33499 0.954524 ] [ 0.225281 0.208647 0.823751 ] [ 0.63804 0.16501 0.454524 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.21740249425 "source-unit" "angstrom" } "b" { "source-value" 8.63082663 "source-unit" "angstrom" } "c" { "source-value" 13.5680698222 "source-unit" "angstrom" } "beta" { "source-value" 100.194844675 "source-unit" "degree" } }