{ "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" [ [ 0.99303 0.047522 0.734595 ] [ 0.488999 0.534103 0.765596 ] [ 0.511001 0.465897 0.234404 ] [ 0.00697 0.952478 0.265405 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.82788 0.822767 0.911348 ] [ 0.835169 0.831428 0.55793 ] [ 0.860338 0.591294 0.22418 ] [ 0.697658 0.342204 0.591187 ] [ 0.654644 0.307421 0.93817 ] [ 0.639508 0.097599 0.277482 ] [ 0.360492 0.902401 0.722518 ] [ 0.345356 0.692579 0.06183 ] [ 0.302342 0.657796 0.408813 ] [ 0.139662 0.408706 0.77582 ] [ 0.164831 0.168572 0.44207 ] [ 0.17212 0.177233 0.088652 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.1745638 "source-unit" "angstrom" } "b" { "source-value" 5.28325357 "source-unit" "angstrom" } "c" { "source-value" 7.91884289 "source-unit" "angstrom" } "alpha" { "source-value" 88.59964027 "source-unit" "degree" } "beta" { "source-value" 87.0648883 "source-unit" "degree" } "gamma" { "source-value" 85.8142971 "source-unit" "degree" } }