{ "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" [ [ 0.491761 0.155215 0.000644 ] [ 0.996959 0.328066 0.751717 ] [ 0.491275 0.672866 0.746004 ] [ 0.490085 0.674901 0.254102 ] [ 0.998862 0.820722 0.498674 ] [ 0.004488 0.331927 0.250024 ] [ 0.997391 0.827269 0.994878 ] [ 0.497646 0.178519 0.505308 ] [ 0.892716 0.099653 0.986392 ] [ 0.304853 0.820385 0.99979 ] [ 0.889643 0.679111 0.796436 ] [ 0.386908 0.313043 0.707813 ] [ 0.804259 0.188967 0.512948 ] [ 0.4083 0.89851 0.50161 ] [ 0.408 0.31206 0.294242 ] [ 0.879444 0.698785 0.199418 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "P" "P" "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" 5.06792988 "source-unit" "angstrom" } "b" { "source-value" 5.3583192 "source-unit" "angstrom" } "c" { "source-value" 6.23811251 "source-unit" "angstrom" } "alpha" { "source-value" 90.36635444 "source-unit" "degree" } "beta" { "source-value" 90.00033764 "source-unit" "degree" } "gamma" { "source-value" 90.32507567 "source-unit" "degree" } }