{ "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" [ [ 0.044918 0.271841 0.871814 ] [ 0.955082 0.771841 0.628186 ] [ 0.955082 0.728159 0.128186 ] [ 0.044918 0.228159 0.371814 ] [ 0.583612 0.88541 0.845843 ] [ 0.416388 0.38541 0.654157 ] [ 0.416388 0.11459 0.154157 ] [ 0.583612 0.61459 0.345843 ] [ 0.307792 0.834208 0.491323 ] [ 0.692208 0.334208 0.008677 ] [ 0.692208 0.165792 0.508677 ] [ 0.307792 0.665792 0.991323 ] [ 0.572644 0.703697 0.600599 ] [ 0.427356 0.203697 0.899401 ] [ 0.427356 0.296303 0.399401 ] [ 0.572644 0.796303 0.100599 ] [ 0.24376 0.594721 0.773272 ] [ 0.75624 0.094721 0.726728 ] [ 0.75624 0.405279 0.226728 ] [ 0.24376 0.905279 0.273272 ] [ 0.212452 0.060251 0.605216 ] [ 0.787548 0.560251 0.894784 ] [ 0.787548 0.939749 0.394784 ] [ 0.212452 0.439749 0.105216 ] [ 0.129053 0.912471 0.972269 ] [ 0.870947 0.412471 0.527731 ] [ 0.870947 0.087529 0.027731 ] [ 0.129053 0.587529 0.472269 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.57896479 "source-unit" "angstrom" } "b" { "source-value" 7.53633265 "source-unit" "angstrom" } "c" { "source-value" 11.29741253 "source-unit" "angstrom" } "beta" { "source-value" 108.35656818 "source-unit" "degree" } }