{ "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" [ [ 0.652668 0.167616 0.572955 ] [ 0.375 0.179008 0.806038 ] [ 0.625 0.679008 0.693962 ] [ 0.375 0.320992 0.306038 ] [ 0.95191 0.377765 0.843843 ] [ 0.347332 0.832384 0.427045 ] [ 0.95191 0.122235 0.343843 ] [ 0.625 0.820992 0.193962 ] [ 0.652668 0.332384 0.072955 ] [ 0.04809 0.622235 0.156157 ] [ 0.04809 0.877765 0.656157 ] [ 0.347332 0.667616 0.927045 ] [ 0.843627 0.583448 0.433294 ] [ 0.843627 0.916552 0.933294 ] [ 0.156373 0.416552 0.566706 ] [ 0.156373 0.083448 0.066706 ] [ 0.707726 0.057282 0.808483 ] [ 0.754477 0.838316 0.460689 ] [ 0.099203 0.55358 0.408635 ] [ 0.754477 0.661684 0.960689 ] [ 0.707726 0.442718 0.308483 ] [ 0.900797 0.44642 0.591365 ] [ 0.292274 0.942718 0.191517 ] [ 0.292274 0.557282 0.691517 ] [ 0.245523 0.161684 0.539311 ] [ 0.245523 0.338316 0.039311 ] [ 0.099203 0.94642 0.908635 ] [ 0.900797 0.05358 0.091365 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "In" "In" "In" "In" "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" 8.30634912914 "source-unit" "angstrom" } "b" { "source-value" 7.45801374 "source-unit" "angstrom" } "c" { "source-value" 11.9964692642 "source-unit" "angstrom" } "beta" { "source-value" 95.6149224951 "source-unit" "degree" } }