{ "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" [ [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.789331 0.268267 0.039816 ] [ 0.772474 0.285767 0.531821 ] [ 0.236458 0.259842 0.026555 ] [ 0.749997 0.720451 0.482621 ] [ 0.250003 0.279549 0.517379 ] [ 0.763542 0.740158 0.973445 ] [ 0.227526 0.714233 0.468179 ] [ 0.210669 0.731733 0.960184 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Mn" "Mn" "Cr" "Cr" "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" 5.87626167 "source-unit" "angstrom" } "b" { "source-value" 5.88194812 "source-unit" "angstrom" } "c" { "source-value" 5.91316473 "source-unit" "angstrom" } "alpha" { "source-value" 118.88059185 "source-unit" "degree" } "beta" { "source-value" 119.17049844 "source-unit" "degree" } "gamma" { "source-value" 90.41566989 "source-unit" "degree" } }