{ "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" [ [ 0.84204 0 0.183855 ] [ 0.65796 0.5 0.816145 ] [ 0.34204 0.5 0.183855 ] [ 0.15796 0 0.816145 ] [ 0.841413 0 0.653202 ] [ 0 0.5 0 ] [ 0.658587 0.5 0.346798 ] [ 0.341413 0.5 0.653202 ] [ 0.5 0 0 ] [ 0.158587 0 0.346798 ] [ 0.84756 0.5 0.903833 ] [ 0.003195 0 0.213342 ] [ 0.679542 0 0.579393 ] [ 0.996805 0 0.786658 ] [ 0.65244 0 0.096167 ] [ 0.820458 0.5 0.420607 ] [ 0.34756 0 0.903833 ] [ 0.503195 0.5 0.213342 ] [ 0.179542 0.5 0.579393 ] [ 0.496805 0.5 0.786658 ] [ 0.15244 0.5 0.096167 ] [ 0.320458 0 0.420607 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "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" 12.85594269 "source-unit" "angstrom" } "b" { "source-value" 3.02933756 "source-unit" "angstrom" } "c" { "source-value" 6.06832103 "source-unit" "angstrom" } "beta" { "source-value" 104.40207244 "source-unit" "degree" } }