{ "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" [ [ 0.538663 0.10071 0.761314 ] [ 0.461337 0.89929 0.238686 ] [ 0 0 0 ] [ 0.759926 0.528948 0.356451 ] [ 0.240074 0.471052 0.643549 ] [ 0.451537 0.232346 0.061276 ] [ 0.472786 0.275073 0.55242 ] [ 0.085643 0.754702 0.679858 ] [ 0.049479 0.774709 0.183049 ] [ 0.950521 0.225291 0.816951 ] [ 0.914357 0.245298 0.320142 ] [ 0.527214 0.724927 0.44758 ] [ 0.548463 0.767654 0.938724 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "F" "F" "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" 5.28579887 "source-unit" "angstrom" } "b" { "source-value" 5.72832472 "source-unit" "angstrom" } "c" { "source-value" 6.02671214 "source-unit" "angstrom" } "alpha" { "source-value" 106.12232052 "source-unit" "degree" } "beta" { "source-value" 90.99074494 "source-unit" "degree" } "gamma" { "source-value" 117.26962343 "source-unit" "degree" } }