{ "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" [ [ 0.016348 0.885824 0.097465 ] [ 0.97273 0.400099 0.01715 ] [ 0.976855 0.031783 0.594519 ] [ 0.430664 0.016159 0.972686 ] [ 0.583259 0.768385 0.451415 ] [ 0.230884 0.548159 0.410522 ] [ 0.453939 0.590933 0.76428 ] [ 0.54288 0.413289 0.230349 ] [ 0.765032 0.456744 0.585232 ] [ 0.412319 0.235665 0.541643 ] [ 0.287119 0.872846 0.622701 ] [ 0.366492 0.712915 0.129129 ] [ 0.784362 0.786634 0.784942 ] [ 0.864778 0.626106 0.28723 ] [ 0.131619 0.380344 0.707362 ] [ 0.213577 0.212758 0.209899 ] [ 0.625654 0.293489 0.866773 ] [ 0.70849 0.130868 0.367703 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "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" 6.70524737 "source-unit" "angstrom" } "b" { "source-value" 6.70953977 "source-unit" "angstrom" } "c" { "source-value" 6.71042312 "source-unit" "angstrom" } "alpha" { "source-value" 95.14985499 "source-unit" "degree" } "beta" { "source-value" 95.10114688 "source-unit" "degree" } "gamma" { "source-value" 94.07372249 "source-unit" "degree" } }