{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.470822 0.982184 0.744767 ] [ 0.529178 0.482184 0.755233 ] [ 0.470822 0.517816 0.244767 ] [ 0.529178 0.017816 0.255233 ] [ 0.104233 0.74657 0.89936 ] [ 0.104233 0.75343 0.39936 ] [ 0.895767 0.24657 0.60064 ] [ 0.895767 0.25343 0.10064 ] [ 0.134795 0.093513 0.695018 ] [ 0.175435 0.812571 0.668144 ] [ 0.192676 0.370375 0.643824 ] [ 0.370348 0.896262 0.001997 ] [ 0.40134 0.610058 0.942559 ] [ 0.134795 0.406487 0.195018 ] [ 0.175435 0.687429 0.168144 ] [ 0.192676 0.129625 0.143824 ] [ 0.370348 0.603738 0.501997 ] [ 0.40134 0.889942 0.442559 ] [ 0.59866 0.110058 0.557441 ] [ 0.629652 0.396262 0.498003 ] [ 0.807324 0.870375 0.856176 ] [ 0.824565 0.312571 0.831856 ] [ 0.865205 0.593513 0.804982 ] [ 0.59866 0.389942 0.057441 ] [ 0.629652 0.103738 0.998003 ] [ 0.807324 0.629625 0.356176 ] [ 0.824565 0.187429 0.331856 ] [ 0.865205 0.906487 0.304982 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "La" "La" "La" "La" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.55261848 "source-unit" "angstrom" } "b" { "source-value" 13.75807691 "source-unit" "angstrom" } "c" { "source-value" 10.4963105 "source-unit" "angstrom" } "beta" { "source-value" 109.89962749 "source-unit" "degree" } }