{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.837585 0 0.660051 ] [ 0.662415 0.5 0.339949 ] [ 0.5 0 0 ] [ 0.337585 0.5 0.660051 ] [ 0.162415 0 0.339949 ] [ 0.835075 0 0.168384 ] [ 0.664925 0.5 0.831616 ] [ 0.335075 0.5 0.168384 ] [ 0.164925 0 0.831616 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.83166 0.5 0.394687 ] [ 0.672251 0 0.070513 ] [ 0.66834 0 0.605313 ] [ 0.010423 0 0.75088 ] [ 0.989577 0 0.24912 ] [ 0.827749 0.5 0.929487 ] [ 0.33166 0 0.394687 ] [ 0.172251 0.5 0.070513 ] [ 0.16834 0.5 0.605313 ] [ 0.510423 0.5 0.75088 ] [ 0.489577 0.5 0.24912 ] [ 0.327749 0 0.929487 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Ni" "Ni" "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" 12.76916114 "source-unit" "angstrom" } "b" { "source-value" 2.9838174 "source-unit" "angstrom" } "c" { "source-value" 5.94068948 "source-unit" "angstrom" } "beta" { "source-value" 104.03309787 "source-unit" "degree" } }