{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.760234 0.993584 0.283122 ] [ 0.239766 0.006416 0.716878 ] [ 0.843664 0.25 0.919336 ] [ 0.156336 0.75 0.080664 ] [ 0.239766 0.493584 0.716878 ] [ 0.760234 0.506416 0.283122 ] [ 0.748635 0.75 0.681411 ] [ 0.251365 0.25 0.318589 ] [ 0.707617 0.25 0.589615 ] [ 0.292383 0.75 0.410385 ] [ 0.588124 0.75 0.980693 ] [ 0.411876 0.25 0.019307 ] [ 0.646883 0.25 0.108863 ] [ 0.800971 0.75 0.92124 ] [ 0.206522 0.75 0.569078 ] [ 0.353117 0.75 0.891137 ] [ 0.173778 0.556483 0.299594 ] [ 0.793478 0.25 0.430922 ] [ 0.173778 0.943517 0.299594 ] [ 0.826222 0.443517 0.700406 ] [ 0.826222 0.056483 0.700406 ] [ 0.397628 0.25 0.557142 ] [ 0.618128 0.75 0.133282 ] [ 0.381872 0.25 0.866718 ] [ 0.602372 0.75 0.442858 ] [ 0.199029 0.25 0.07876 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "P" "P" "C" "C" "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" 5.17231724055 "source-unit" "angstrom" } "b" { "source-value" 6.19498851 "source-unit" "angstrom" } "c" { "source-value" 8.61324831844 "source-unit" "angstrom" } "beta" { "source-value" 102.633523107 "source-unit" "degree" } }