{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.064797 0.726486 0.876295 ] [ 0.935203 0.226486 0.623705 ] [ 0.064797 0.773514 0.376295 ] [ 0.935203 0.273514 0.123705 ] [ 0.531741 0.101587 0.875696 ] [ 0.153153 0.492975 0.777948 ] [ 0.846847 0.992975 0.722052 ] [ 0.468259 0.601587 0.624304 ] [ 0.531741 0.398413 0.375696 ] [ 0.153153 0.007025 0.277948 ] [ 0.846847 0.507025 0.222052 ] [ 0.468259 0.898413 0.124304 ] [ 0.792134 0.884763 0.972958 ] [ 0.631454 0.665266 0.950292 ] [ 0.368546 0.165266 0.549708 ] [ 0.207866 0.384763 0.527042 ] [ 0.792134 0.615237 0.472958 ] [ 0.631454 0.834734 0.450292 ] [ 0.368546 0.334734 0.049708 ] [ 0.207866 0.115237 0.027042 ] [ 0.91593 0.16001 0.994905 ] [ 0.581593 0.792132 0.965952 ] [ 0.324226 0.614803 0.888671 ] [ 0.195779 0.041267 0.893309 ] [ 0.14614 0.378407 0.881903 ] [ 0.731862 0.655544 0.831485 ] [ 0.648509 0.957257 0.820471 ] [ 0.351491 0.457257 0.679529 ] [ 0.268138 0.155544 0.668515 ] [ 0.85386 0.878407 0.618097 ] [ 0.804221 0.541267 0.606691 ] [ 0.675774 0.114803 0.611329 ] [ 0.418407 0.292132 0.534048 ] [ 0.08407 0.66001 0.505095 ] [ 0.91593 0.33999 0.494905 ] [ 0.581593 0.707868 0.465952 ] [ 0.324226 0.885197 0.388671 ] [ 0.195779 0.458733 0.393309 ] [ 0.14614 0.121593 0.381903 ] [ 0.731862 0.844456 0.331485 ] [ 0.648509 0.542743 0.320471 ] [ 0.351491 0.042743 0.179529 ] [ 0.268138 0.344456 0.168515 ] [ 0.85386 0.621593 0.118097 ] [ 0.804221 0.958733 0.106691 ] [ 0.675774 0.385197 0.111329 ] [ 0.418407 0.207868 0.034048 ] [ 0.08407 0.83999 0.005095 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.66627022 "source-unit" "angstrom" } "b" { "source-value" 12.99193158 "source-unit" "angstrom" } "c" { "source-value" 10.4357999 "source-unit" "angstrom" } "beta" { "source-value" 121.57861958 "source-unit" "degree" } }