{ "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" [ [ 0.150653 0.5 0.643889 ] [ 0.849347 0.5 0.356111 ] [ 0.650653 0 0.643889 ] [ 0.349347 0 0.356111 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.068223 0.246499 0.807404 ] [ 0.833507 0 0.685554 ] [ 0.931777 0.246499 0.192596 ] [ 0.068223 0.753501 0.807404 ] [ 0.166493 0 0.314446 ] [ 0.931777 0.753501 0.192596 ] [ 0.568223 0.746499 0.807404 ] [ 0.333507 0.5 0.685554 ] [ 0.431777 0.746499 0.192596 ] [ 0.568223 0.253501 0.807404 ] [ 0.666493 0.5 0.314446 ] [ 0.431777 0.253501 0.192596 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.31182263 "source-unit" "angstrom" } "b" { "source-value" 5.38651073 "source-unit" "angstrom" } "c" { "source-value" 4.74410776 "source-unit" "angstrom" } "beta" { "source-value" 107.28898414 "source-unit" "degree" } }