{ "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" [ [ 0.67675 0 0.280028 ] [ 0 0.82132 0.5 ] [ 0 0.17868 0.5 ] [ 0.32325 0 0.719972 ] [ 0.17675 0.5 0.280028 ] [ 0.5 0.32132 0.5 ] [ 0.5 0.67868 0.5 ] [ 0.82325 0.5 0.719972 ] [ 0 0.801229 0 ] [ 0 0.198771 0 ] [ 0.5 0.301229 0 ] [ 0.5 0.698771 0 ] [ 0.687336 0 0.746628 ] [ 0.312664 0 0.253372 ] [ 0.187336 0.5 0.746628 ] [ 0.812664 0.5 0.253372 ] [ 0.808261 0 0.963425 ] [ 0.797331 0 0.56027 ] [ 0.056607 0.330515 0.758633 ] [ 0.056607 0.669485 0.758633 ] [ 0.943393 0.669485 0.241367 ] [ 0.943393 0.330515 0.241367 ] [ 0.202669 0 0.43973 ] [ 0.191739 0 0.036575 ] [ 0.308261 0.5 0.963425 ] [ 0.297331 0.5 0.56027 ] [ 0.556607 0.830515 0.758633 ] [ 0.556607 0.169485 0.758633 ] [ 0.443393 0.169485 0.241367 ] [ 0.443393 0.830515 0.241367 ] [ 0.702669 0.5 0.43973 ] [ 0.691739 0.5 0.036575 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "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" 7.00674017 "source-unit" "angstrom" } "b" { "source-value" 7.14550382 "source-unit" "angstrom" } "c" { "source-value" 6.16309674 "source-unit" "angstrom" } "beta" { "source-value" 90.88277924 "source-unit" "degree" } }