{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.256077 0.554504 0.277648 ] [ 0.743923 0.445496 0.722352 ] [ 0 0 0 ] [ 0.397167 0.004313 0.199126 ] [ 0.199288 0.995554 0.601738 ] [ 0.800712 0.004446 0.398262 ] [ 0.602833 0.995687 0.800874 ] [ 0.195901 0.808698 0.438151 ] [ 0.835843 0.804901 0.237769 ] [ 0.39436 0.812991 0.045089 ] [ 0.393225 0.185854 0.36595 ] [ 0.037584 0.802208 0.834296 ] [ 0.962416 0.197792 0.165704 ] [ 0.606775 0.814146 0.63405 ] [ 0.60564 0.187009 0.954911 ] [ 0.164157 0.195099 0.762231 ] [ 0.804099 0.191302 0.561849 ] ] } "species" { "source-value" [ "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 4.95758726 "source-unit" "angstrom" } "b" { "source-value" 5.87996917 "source-unit" "angstrom" } "c" { "source-value" 7.41142394 "source-unit" "angstrom" } "alpha" { "source-value" 69.90604642 "source-unit" "degree" } "beta" { "source-value" 71.33985639 "source-unit" "degree" } "gamma" { "source-value" 65.49407727 "source-unit" "degree" } }