{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.236335 0.43418 0.164527 ] [ 0.236335 0.06582 0.164527 ] [ 0.418221 0.75 0.475853 ] [ 0.581779 0.25 0.524147 ] [ 0.763665 0.93418 0.835473 ] [ 0.763665 0.56582 0.835473 ] [ 0.255857 0.75 0.884699 ] [ 0.744143 0.25 0.115301 ] [ 0.019057 0.75 0.232419 ] [ 0.132794 0.25 0.462762 ] [ 0.275316 0.452258 0.720231 ] [ 0.275316 0.047742 0.720231 ] [ 0.724684 0.952258 0.279769 ] [ 0.724684 0.547742 0.279769 ] [ 0.867206 0.75 0.537238 ] [ 0.980943 0.25 0.767581 ] [ 0.129847 0.392385 0.842708 ] [ 0.129847 0.107615 0.842708 ] [ 0.076253 0.75 0.452953 ] [ 0.079771 0.25 0.243276 ] [ 0.287805 0.386671 0.537058 ] [ 0.287805 0.113329 0.537058 ] [ 0.23821 0.75 0.162499 ] [ 0.411766 0.921215 0.786525 ] [ 0.411766 0.578785 0.786525 ] [ 0.588234 0.078785 0.213475 ] [ 0.588234 0.421215 0.213475 ] [ 0.76179 0.25 0.837501 ] [ 0.712195 0.886671 0.462942 ] [ 0.712195 0.613329 0.462942 ] [ 0.920229 0.75 0.756724 ] [ 0.923747 0.25 0.547047 ] [ 0.870153 0.892385 0.157292 ] [ 0.870153 0.607615 0.157292 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "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" 5.78345184 "source-unit" "angstrom" } "b" { "source-value" 8.76149856 "source-unit" "angstrom" } "c" { "source-value" 6.74984756 "source-unit" "angstrom" } "beta" { "source-value" 102.41095301 "source-unit" "degree" } }