{ "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" [ [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.750988 0.953192 0.164297 ] [ 0.249012 0.453192 0.335703 ] [ 0.249012 0.046808 0.835703 ] [ 0.750988 0.546808 0.664297 ] [ 0.742807 0.9578 0.844758 ] [ 0.257193 0.4578 0.655242 ] [ 0.257193 0.0422 0.155242 ] [ 0.742807 0.5422 0.344758 ] [ 0.723372 0.814539 0.973385 ] [ 0.276628 0.314539 0.526615 ] [ 0.276628 0.185461 0.026615 ] [ 0.723372 0.685461 0.473385 ] [ 0.548029 0.119393 0.840027 ] [ 0.451971 0.619393 0.659973 ] [ 0.451971 0.880607 0.159973 ] [ 0.548029 0.380607 0.340027 ] [ 0.960459 0.09022 0.859487 ] [ 0.039541 0.59022 0.640513 ] [ 0.039541 0.90978 0.140513 ] [ 0.960459 0.40978 0.359487 ] [ 0.742067 0.852425 0.699708 ] [ 0.257933 0.352425 0.800292 ] [ 0.257933 0.147575 0.300292 ] [ 0.742067 0.647575 0.199708 ] [ 0.714415 0.176945 0.096775 ] [ 0.285585 0.676945 0.403225 ] [ 0.285585 0.823055 0.903225 ] [ 0.714415 0.323055 0.596775 ] [ 0.755502 0.006684 0.323226 ] [ 0.244498 0.506684 0.176774 ] [ 0.244498 0.993316 0.676774 ] [ 0.755502 0.493316 0.823226 ] ] } "species" { "source-value" [ "Sr" "Sr" "Mo" "Mo" "Mo" "Mo" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.68398523358 "source-unit" "angstrom" } "b" { "source-value" 7.04030198 "source-unit" "angstrom" } "c" { "source-value" 10.6863110061 "source-unit" "angstrom" } "beta" { "source-value" 91.3961500018 "source-unit" "degree" } }