{ "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" [ [ 0.10557 0 0.233082 ] [ 0.89443 0 0.766918 ] [ 0.60557 0.5 0.233082 ] [ 0.39443 0.5 0.766918 ] [ 0.200691 0 0.820385 ] [ 0.799309 0 0.179615 ] [ 0.700691 0.5 0.820385 ] [ 0.299309 0.5 0.179615 ] [ 0.141706 0.5 0.203384 ] [ 0.858294 0.5 0.796616 ] [ 0.057321 0 0.863882 ] [ 0.942679 0 0.136118 ] [ 0.858859 0 0.474162 ] [ 0.141141 0 0.525838 ] [ 0.238058 0.5 0.858252 ] [ 0.761942 0.5 0.141748 ] [ 0.641706 0 0.203384 ] [ 0.358294 0 0.796616 ] [ 0.557321 0.5 0.863882 ] [ 0.442679 0.5 0.136118 ] [ 0.358859 0.5 0.474162 ] [ 0.641141 0.5 0.525838 ] [ 0.738058 0 0.858252 ] [ 0.261942 0 0.141748 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Al" "Al" "Al" "Al" "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" 12.2691134421 "source-unit" "angstrom" } "b" { "source-value" 3.81314202 "source-unit" "angstrom" } "c" { "source-value" 6.51563867911 "source-unit" "angstrom" } "beta" { "source-value" 107.686468089 "source-unit" "degree" } }