{ "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" [ [ 0.247146 0.927246 0.059511 ] [ 0.741202 0.816191 0.176451 ] [ 0.247369 0.68432 0.30762 ] [ 0.752907 0.564347 0.440767 ] [ 0.247093 0.435653 0.559233 ] [ 0.752631 0.31568 0.69238 ] [ 0.258798 0.183809 0.823549 ] [ 0.752854 0.072754 0.940489 ] [ 0 0.5 0 ] [ 0.997377 0.26171 0.237387 ] [ 0.501488 0.130564 0.367729 ] [ 0 0 0.5 ] [ 0.498512 0.869436 0.632271 ] [ 0.002623 0.73829 0.762613 ] [ 0.496345 0.380238 0.115988 ] [ 0.503655 0.619762 0.884012 ] [ 0.164855 0.562419 0.151623 ] [ 0.829996 0.183521 0.098645 ] [ 0.873391 0.926032 0.343954 ] [ 0.383255 0.08003 0.200298 ] [ 0.608499 0.459342 0.258635 ] [ 0.372697 0.801212 0.467199 ] [ 0.12989 0.331542 0.396819 ] [ 0.627303 0.198788 0.532801 ] [ 0.87011 0.668458 0.603181 ] [ 0.391501 0.540658 0.741365 ] [ 0.126609 0.073968 0.656046 ] [ 0.835145 0.437581 0.848377 ] [ 0.170005 0.816479 0.901355 ] [ 0.616745 0.91997 0.799702 ] [ 0.598955 0.678688 0.027286 ] [ 0.401045 0.321312 0.972714 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "Si" "Si" "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" 5.10471759 "source-unit" "angstrom" } "b" { "source-value" 5.11518558 "source-unit" "angstrom" } "c" { "source-value" 11.31757526 "source-unit" "angstrom" } "alpha" { "source-value" 80.90081213 "source-unit" "degree" } "beta" { "source-value" 85.31680802 "source-unit" "degree" } "gamma" { "source-value" 80.34114683 "source-unit" "degree" } }