{ "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" [ [ 0.954181 0.913545 0.875966 ] [ 0.482167 0.482839 0.47597 ] [ 0.003569 0.992387 0.48113 ] [ 0.986849 0.48649 0.981651 ] [ 0.50374 0.000801 0.994725 ] [ 0.499202 0.497788 0.996431 ] [ 0.503604 0.998286 0.500797 ] [ 0.998015 0.502848 0.500484 ] [ 0.179004 0.31094 0.489597 ] [ 0.521882 0.820995 0.695662 ] [ 0.131799 0.821862 0.312449 ] [ 0.309404 0.488587 0.180012 ] [ 0.691829 0.867975 0.179192 ] [ 0.172308 0.696443 0.87148 ] [ 0.821601 0.313435 0.131516 ] [ 0.696554 0.51612 0.820881 ] [ 0.301042 0.125547 0.818906 ] [ 0.87537 0.179721 0.698569 ] [ 0.489211 0.178793 0.311597 ] [ 0.817669 0.693594 0.510985 ] ] } "species" { "source-value" [ "Li" "Ti" "Ti" "Ti" "Nb" "Cu" "Cu" "Cu" "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" 6.45253059 "source-unit" "angstrom" } "b" { "source-value" 6.47876905 "source-unit" "angstrom" } "c" { "source-value" 6.52149661 "source-unit" "angstrom" } "alpha" { "source-value" 109.37127753 "source-unit" "degree" } "beta" { "source-value" 109.38043634 "source-unit" "degree" } "gamma" { "source-value" 109.28966869 "source-unit" "degree" } }