{ "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" [ [ 0.266913 0.981377 0.874612 ] [ 0.769902 0.001138 0.64085 ] [ 0.230098 0.998862 0.35915 ] [ 0.733087 0.018623 0.125388 ] [ 0.502539 0.488477 0.758787 ] [ 0.497461 0.511523 0.241213 ] [ 0 0.5 1 ] [ 0.647311 0.269252 0.93505 ] [ 0.352689 0.730749 0.06495 ] [ 0.139836 0.207708 0.684617 ] [ 0.871065 0.771903 0.827934 ] [ 0.588784 0.249369 0.420773 ] [ 0.411216 0.750631 0.579227 ] [ 0.128935 0.228097 0.172066 ] [ 0.860164 0.792292 0.315383 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "O" "O" "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" 5.29769333 "source-unit" "angstrom" } "b" { "source-value" 5.31404676 "source-unit" "angstrom" } "c" { "source-value" 6.08996097 "source-unit" "angstrom" } "alpha" { "source-value" 106.81265571 "source-unit" "degree" } "beta" { "source-value" 88.73062717 "source-unit" "degree" } "gamma" { "source-value" 100.92274151 "source-unit" "degree" } }