{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.703659 0 ] [ 0.5 0.805131 0 ] [ 0 0.326648 0.5 ] [ 0.5 0.205334 0.5 ] [ 0 0.108239 0 ] [ 0.5 0.420998 0 ] [ 0 0.907088 0.5 ] [ 0.5 0.605604 0.5 ] [ 0.259676 0.262134 0.853814 ] [ 0.30577 0.588801 0.818042 ] [ 0.19275 0.915016 0.818122 ] [ 0.695567 0.432559 0.683362 ] [ 0.793547 0.079577 0.660771 ] [ 0.753755 0.751103 0.653764 ] [ 0.246245 0.751103 0.346236 ] [ 0.206453 0.079577 0.339229 ] [ 0.304433 0.432559 0.316638 ] [ 0.80725 0.915016 0.181878 ] [ 0.69423 0.588801 0.181958 ] [ 0.740324 0.262134 0.146186 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nb" "Fe" "Fe" "Fe" "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" 4.94401175 "source-unit" "angstrom" } "b" { "source-value" 8.25158368 "source-unit" "angstrom" } "c" { "source-value" 5.02317309 "source-unit" "angstrom" } "beta" { "source-value" 90.99935171 "source-unit" "degree" } }