{ "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" [ [ 0.974737 0.120921 0.248139 ] [ 0.974737 0.379079 0.748139 ] [ 0.025263 0.620921 0.251861 ] [ 0.025263 0.879079 0.751861 ] [ 0.804233 0.116981 0.951602 ] [ 0.195767 0.616981 0.548398 ] [ 0.198227 0.130884 0.538682 ] [ 0.804233 0.383019 0.451602 ] [ 0.801773 0.630884 0.961318 ] [ 0.198227 0.369116 0.038682 ] [ 0.801773 0.869116 0.461318 ] [ 0.195767 0.883019 0.048398 ] [ 0.368568 0.128794 0.831461 ] [ 0.631432 0.871206 0.168539 ] [ 0.629882 0.130075 0.666385 ] [ 0.368568 0.371206 0.331461 ] [ 0.629882 0.369925 0.166385 ] [ 0.370118 0.869925 0.333615 ] [ 0.370118 0.630075 0.833615 ] [ 0.631432 0.628794 0.668539 ] [ 0.31457 0.621269 0.298142 ] [ 0.667815 0.8892 0.03702 ] [ 0.004585 0.877317 0.892168 ] [ 0.416809 0.596678 0.669656 ] [ 0.040385 0.618209 0.110052 ] [ 0.31457 0.878731 0.798142 ] [ 0.416809 0.903322 0.169656 ] [ 0.852348 0.845782 0.231849 ] [ 0.586119 0.840238 0.334562 ] [ 0.995415 0.122683 0.107832 ] [ 0.14898 0.896303 0.268348 ] [ 0.667815 0.6108 0.53702 ] [ 0.85102 0.103697 0.731652 ] [ 0.004585 0.622683 0.392168 ] [ 0.85102 0.396303 0.231652 ] [ 0.62376 0.620821 0.165657 ] [ 0.62376 0.879179 0.665657 ] [ 0.332185 0.3892 0.46298 ] [ 0.14898 0.603697 0.768348 ] [ 0.665803 0.351845 0.035099 ] [ 0.586119 0.659762 0.834562 ] [ 0.68543 0.121269 0.201858 ] [ 0.68543 0.378731 0.701858 ] [ 0.583191 0.096678 0.830344 ] [ 0.413881 0.159762 0.665438 ] [ 0.852348 0.654218 0.731849 ] [ 0.959615 0.381791 0.889948 ] [ 0.959615 0.118209 0.389948 ] [ 0.37624 0.120821 0.334343 ] [ 0.37624 0.379179 0.834343 ] [ 0.332185 0.1108 0.96298 ] [ 0.147652 0.154218 0.768151 ] [ 0.040385 0.881791 0.610052 ] [ 0.334197 0.851845 0.464901 ] [ 0.995415 0.377317 0.607832 ] [ 0.147652 0.345782 0.268151 ] [ 0.665803 0.148155 0.535099 ] [ 0.334197 0.648155 0.964901 ] [ 0.583191 0.403322 0.330344 ] [ 0.413881 0.340238 0.165438 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "W" "W" "W" "W" "W" "W" "W" "W" "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" "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" 8.60736747 "source-unit" "angstrom" } "b" { "source-value" 7.6416565 "source-unit" "angstrom" } "c" { "source-value" 13.14905978 "source-unit" "angstrom" } "beta" { "source-value" 95.23645223 "source-unit" "degree" } }