{ "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" [ [ 0.81467 0.10116 0.724253 ] [ 0.68533 0.60116 0.275747 ] [ 0.31467 0.39884 0.724253 ] [ 0.18533 0.89884 0.275747 ] [ 0.634585 0.519489 0.918226 ] [ 0.134585 0.980511 0.918226 ] [ 0.365415 0.480511 0.081774 ] [ 0.865415 0.019489 0.081774 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.665825 0.610409 0.609368 ] [ 0.165825 0.889591 0.609368 ] [ 0.834175 0.110409 0.390632 ] [ 0.334175 0.389591 0.390632 ] [ 0.545167 0.293299 0.119501 ] [ 0.556244 0.192454 0.837076 ] [ 0.045167 0.206701 0.119501 ] [ 0.689022 0.833227 0.029948 ] [ 0.443756 0.807546 0.162924 ] [ 0.954833 0.793299 0.880499 ] [ 0.454833 0.706701 0.880499 ] [ 0.189022 0.666773 0.029948 ] [ 0.943756 0.692454 0.162924 ] [ 0.310978 0.166773 0.970052 ] [ 0.056244 0.307546 0.837076 ] [ 0.810978 0.333227 0.970052 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Br" "Br" "Br" "Br" "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" 9.48113140916 "source-unit" "angstrom" } "b" { "source-value" 5.27392786 "source-unit" "angstrom" } "c" { "source-value" 9.55263750935 "source-unit" "angstrom" } "beta" { "source-value" 95.4315519027 "source-unit" "degree" } }