{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.014608 0.840538 0.402676 ] [ 0.681275 0.173872 0.736009 ] [ 0.347941 0.507205 0.069342 ] [ 0.82593 0.985392 0.402676 ] [ 0.492597 0.318725 0.736009 ] [ 0.159263 0.652059 0.069342 ] [ 0.159462 0.17407 0.402676 ] [ 0.826128 0.507403 0.736009 ] [ 0.492795 0.840737 0.069342 ] [ 0.840538 0.82593 0.597324 ] [ 0.507205 0.159263 0.930658 ] [ 0.173872 0.492597 0.263991 ] [ 0.17407 0.014608 0.597324 ] [ 0.840737 0.347941 0.930658 ] [ 0.507403 0.681275 0.263991 ] [ 0.985392 0.159462 0.597324 ] [ 0.652059 0.492795 0.930658 ] [ 0.318725 0.826128 0.263991 ] [ 0 0 0.245315 ] [ 0.666667 0.333333 0.578648 ] [ 0.333333 0.666667 0.911981 ] [ 0.3229 0.032456 0.416754 ] [ 0.989567 0.365789 0.750087 ] [ 0.656233 0.699123 0.083421 ] [ 0.967544 0.290444 0.416754 ] [ 0.634211 0.623777 0.750087 ] [ 0.300877 0.957111 0.083421 ] [ 0.709556 0.6771 0.416754 ] [ 0.376223 0.010433 0.750087 ] [ 0.042889 0.343767 0.083421 ] [ 0.6771 0.967544 0.583246 ] [ 0.343767 0.300877 0.916579 ] [ 0.010433 0.634211 0.249913 ] [ 0.032456 0.709556 0.583246 ] [ 0.699123 0.042889 0.916579 ] [ 0.365789 0.376223 0.249913 ] [ 0 0 0.754685 ] [ 0.666667 0.333333 0.088019 ] [ 0.333333 0.666667 0.421352 ] [ 0.290444 0.3229 0.583246 ] [ 0.957111 0.656233 0.916579 ] [ 0.623777 0.989567 0.249913 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.28849303243 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }