{ "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" [ [ 0.114847 0.5 0.913542 ] [ 0.885153 0.5 0.086458 ] [ 0.614847 0 0.913542 ] [ 0.385153 0 0.086458 ] [ 0.11992 0.244157 0.38134 ] [ 0.11992 0.755843 0.38134 ] [ 0.88008 0.755843 0.61866 ] [ 0.88008 0.244157 0.61866 ] [ 0.61992 0.744157 0.38134 ] [ 0.61992 0.255843 0.38134 ] [ 0.38008 0.255843 0.61866 ] [ 0.38008 0.744157 0.61866 ] [ 0.846591 0 0.150692 ] [ 0.153409 0 0.849308 ] [ 0.346591 0.5 0.150692 ] [ 0.653409 0.5 0.849308 ] [ 0.010074 0.5 0.203132 ] [ 0.098542 0 0.634987 ] [ 0.118731 0.19653 0.976524 ] [ 0.801053 0.5 0.285839 ] [ 0.881269 0.80347 0.023476 ] [ 0.776873 0.5 0.826214 ] [ 0.118731 0.80347 0.976524 ] [ 0.901458 0 0.365013 ] [ 0.198947 0.5 0.714161 ] [ 0.989926 0.5 0.796868 ] [ 0.881269 0.19653 0.023476 ] [ 0.223127 0.5 0.173786 ] [ 0.510074 0 0.203132 ] [ 0.598542 0.5 0.634987 ] [ 0.618731 0.69653 0.976524 ] [ 0.301053 0 0.285839 ] [ 0.381269 0.30347 0.023476 ] [ 0.276873 0 0.826214 ] [ 0.618731 0.30347 0.976524 ] [ 0.401458 0.5 0.365013 ] [ 0.698947 0 0.714161 ] [ 0.489926 0 0.796868 ] [ 0.381269 0.69653 0.023476 ] [ 0.723127 0 0.173786 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "P" "P" "P" "P" "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" 12.605904019 "source-unit" "angstrom" } "b" { "source-value" 6.34926281373 "source-unit" "angstrom" } "c" { "source-value" 6.43455235479 "source-unit" "angstrom" } "beta" { "source-value" 90.0332945631 "source-unit" "degree" } }