{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.953021 0.091162 0.816226 ] [ 0.046979 0.908838 0.183774 ] [ 0.409127 0.181987 0.638538 ] [ 0.864004 0.273653 0.456861 ] [ 0.773363 0.454065 0.090826 ] [ 0.320763 0.363828 0.273128 ] [ 0.679237 0.636172 0.726872 ] [ 0.226637 0.545935 0.909174 ] [ 0.590873 0.818013 0.361462 ] [ 0.135996 0.726347 0.543139 ] [ 0.5 0 0 ] [ 0.546376 0.905997 0.674251 ] [ 0.911099 0.181691 0.137182 ] [ 0 0 0.5 ] [ 0.817741 0.363535 0.773463 ] [ 0.453624 0.094003 0.325749 ] [ 0.359007 0.27843 0.953358 ] [ 0.72825 0.544152 0.40895 ] [ 0.640993 0.72157 0.046642 ] [ 0.27175 0.455848 0.59105 ] [ 0.088901 0.818309 0.862818 ] [ 0.182259 0.636465 0.226537 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Fe" "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" 5.22244856 "source-unit" "angstrom" } "b" { "source-value" 6.76158024 "source-unit" "angstrom" } "c" { "source-value" 6.76643573 "source-unit" "angstrom" } "alpha" { "source-value" 107.45998198 "source-unit" "degree" } "beta" { "source-value" 104.98229289 "source-unit" "degree" } "gamma" { "source-value" 97.68925541 "source-unit" "degree" } }