{ "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 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.655653 0 0.235519 ] [ 0.844347 0.5 0.764481 ] [ 0.155653 0.5 0.235519 ] [ 0.344347 0 0.764481 ] [ 0.748745 0.5 0.563672 ] [ 0.725836 0.5 0.943525 ] [ 0.039085 0.742284 0.202303 ] [ 0.539085 0.757716 0.202303 ] [ 0.960915 0.742284 0.797697 ] [ 0.460915 0.757716 0.797697 ] [ 0.774164 0 0.056475 ] [ 0.751255 0 0.436328 ] [ 0.248745 0 0.563672 ] [ 0.225836 0 0.943525 ] [ 0.539085 0.242284 0.202303 ] [ 0.039085 0.257716 0.202303 ] [ 0.460915 0.242284 0.797697 ] [ 0.960915 0.257716 0.797697 ] [ 0.274164 0.5 0.056475 ] [ 0.251255 0.5 0.436328 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "P" "P" "P" "P" "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" 7.90359966 "source-unit" "angstrom" } "b" { "source-value" 5.24175384 "source-unit" "angstrom" } "c" { "source-value" 6.68144097 "source-unit" "angstrom" } "beta" { "source-value" 93.52835189 "source-unit" "degree" } }