{ "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 0.746982 0 ] [ 0 0.253018 0 ] [ 0.725313 0 0.592507 ] [ 0.274687 0 0.407493 ] [ 0.5 0.246982 0 ] [ 0.5 0.753018 0 ] [ 0.225313 0.5 0.592507 ] [ 0.774687 0.5 0.407493 ] [ 0 0.81332 0.5 ] [ 0 0.18668 0.5 ] [ 0.210088 0 0.870094 ] [ 0.789912 0 0.129906 ] [ 0.5 0.31332 0.5 ] [ 0.5 0.68668 0.5 ] [ 0.710088 0.5 0.870094 ] [ 0.289912 0.5 0.129906 ] [ 0.85866 0 0.459457 ] [ 0.14134 0 0.540543 ] [ 0.208445 0 0.163658 ] [ 0.791555 0 0.836342 ] [ 0.866315 0.350681 0.893182 ] [ 0.133685 0.350681 0.106818 ] [ 0.133685 0.649319 0.106818 ] [ 0.866315 0.649319 0.893182 ] [ 0.952392 0.844609 0.187659 ] [ 0.047608 0.844609 0.812341 ] [ 0.047608 0.155391 0.812341 ] [ 0.952392 0.155391 0.187659 ] [ 0.861416 0.649305 0.476744 ] [ 0.138584 0.649305 0.523256 ] [ 0.138584 0.350695 0.523256 ] [ 0.861416 0.350695 0.476744 ] [ 0.35866 0.5 0.459457 ] [ 0.64134 0.5 0.540543 ] [ 0.708445 0.5 0.163658 ] [ 0.291555 0.5 0.836342 ] [ 0.366315 0.850681 0.893182 ] [ 0.633685 0.850681 0.106818 ] [ 0.633685 0.149319 0.106818 ] [ 0.366315 0.149319 0.893182 ] [ 0.452392 0.344609 0.187659 ] [ 0.547608 0.344609 0.812341 ] [ 0.547608 0.655391 0.812341 ] [ 0.452392 0.655391 0.187659 ] [ 0.361416 0.149305 0.476744 ] [ 0.638584 0.149305 0.523256 ] [ 0.638584 0.850695 0.523256 ] [ 0.361416 0.850695 0.476744 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "In" "In" "In" "In" "In" "In" "In" "In" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.4703157524 "source-unit" "angstrom" } "b" { "source-value" 9.5931226079 "source-unit" "angstrom" } "c" { "source-value" 7.17550768976 "source-unit" "angstrom" } "beta" { "source-value" 104.928916392 "source-unit" "degree" } }