{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.103423 0.934924 0.981571 ] [ 0.961271 0.103083 0.467745 ] [ 0.592721 0.787957 0.226316 ] [ 0.597107 0.7857 0.728751 ] [ 0.456307 0.594943 0.394239 ] [ 0.217802 0.541497 0.202606 ] [ 0.456681 0.596546 0.893463 ] [ 0.213642 0.548183 0.702771 ] [ 0.782499 0.45735 0.297134 ] [ 0.546378 0.404612 0.10673 ] [ 0.78612 0.453497 0.797753 ] [ 0.542791 0.404932 0.607344 ] [ 0.408372 0.211144 0.272464 ] [ 0.403348 0.216412 0.77237 ] [ 0.275225 0.861506 0.310353 ] [ 0.271245 0.869603 0.811515 ] [ 0.371895 0.726 0.066729 ] [ 0.792223 0.800265 0.394747 ] [ 0.379136 0.726467 0.568558 ] [ 0.799983 0.789882 0.89783 ] [ 0.864456 0.622905 0.138335 ] [ 0.862889 0.620526 0.638507 ] [ 0.136967 0.372265 0.363611 ] [ 0.136806 0.381519 0.862118 ] [ 0.212823 0.200104 0.102129 ] [ 0.624077 0.271098 0.434695 ] [ 0.202083 0.213408 0.601005 ] [ 0.621874 0.275951 0.932114 ] [ 0.72616 0.136649 0.189493 ] [ 0.722797 0.133473 0.690356 ] ] } "species" { "source-value" [ "Cu" "Cu" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "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" 6.47256494 "source-unit" "angstrom" } "b" { "source-value" 6.48808214 "source-unit" "angstrom" } "c" { "source-value" 12.99815885 "source-unit" "angstrom" } "alpha" { "source-value" 94.03848913 "source-unit" "degree" } "beta" { "source-value" 94.66392258 "source-unit" "degree" } "gamma" { "source-value" 93.65097418 "source-unit" "degree" } }