{ "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" [ [ 0.264327 0.611132 0.182701 ] [ 0.735673 0.388868 0.817299 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.320938 0.638302 0.765174 ] [ 0.679062 0.361698 0.234826 ] [ 0.369289 0.239976 0.09142 ] [ 0.686115 0.651865 0.342111 ] [ 0.313885 0.348135 0.657889 ] [ 0.763478 0.210102 0.381528 ] [ 0.630711 0.760024 0.90858 ] [ 0.236522 0.789898 0.618472 ] [ 0.865663 0.342987 0.107146 ] [ 0.134337 0.657013 0.892854 ] [ 0.126393 0.922554 0.263439 ] [ 0.873607 0.077446 0.736561 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.23038345812 "source-unit" "angstrom" } "b" { "source-value" 5.4311663027 "source-unit" "angstrom" } "c" { "source-value" 7.4938639758 "source-unit" "angstrom" } "alpha" { "source-value" 106.199680579 "source-unit" "degree" } "beta" { "source-value" 108.578505604 "source-unit" "degree" } "gamma" { "source-value" 97.774719301 "source-unit" "degree" } }