{ "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" [ [ 0.699844 0.402469 0.397876 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.300156 0.597531 0.602124 ] [ 0.108289 0.20102 0.187609 ] [ 0.891711 0.79898 0.812391 ] [ 0.697645 0.893487 0.394612 ] [ 0.302355 0.106513 0.605388 ] [ 0.095866 0.691556 0.192212 ] [ 0.904134 0.308444 0.807788 ] [ 0.834669 0.836109 0.120862 ] [ 0.629181 0.426003 0.705605 ] [ 0.836664 0.372351 0.083465 ] [ 0.622541 0.987928 0.70763 ] [ 0.377459 0.012072 0.29237 ] [ 0.370819 0.573997 0.294395 ] [ 0.165331 0.163891 0.879138 ] [ 0.163336 0.627649 0.916535 ] [ 0.992657 0.249378 0.534368 ] [ 0.007343 0.750622 0.465632 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Si" "Si" "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" 5.00179956 "source-unit" "angstrom" } "b" { "source-value" 5.77418924 "source-unit" "angstrom" } "c" { "source-value" 6.4594733 "source-unit" "angstrom" } "alpha" { "source-value" 104.46726315 "source-unit" "degree" } "beta" { "source-value" 97.79486381 "source-unit" "degree" } "gamma" { "source-value" 106.4700752 "source-unit" "degree" } }