{ "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" [ [ 0.976435 0.427799 0.251629 ] [ 0.523565 0.927799 0.248371 ] [ 0.023565 0.572201 0.748371 ] [ 0.476435 0.072201 0.751629 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.223478 0.859381 0.964836 ] [ 0.723478 0.640619 0.464836 ] [ 0.776522 0.140619 0.035164 ] [ 0.276522 0.359381 0.535164 ] [ 0.362287 0.714508 0.543674 ] [ 0.137713 0.214508 0.956326 ] [ 0.637713 0.285492 0.456326 ] [ 0.862287 0.785492 0.043674 ] [ 0.922017 0.977527 0.819829 ] [ 0.577983 0.477527 0.680171 ] [ 0.077983 0.022473 0.180171 ] [ 0.422017 0.522473 0.319829 ] [ 0.879413 0.962773 0.715565 ] [ 0.620587 0.462773 0.784435 ] [ 0.120587 0.037227 0.284435 ] [ 0.379413 0.537227 0.215565 ] [ 0.280812 0.836202 0.569994 ] [ 0.780812 0.663798 0.069994 ] [ 0.719188 0.163798 0.430006 ] [ 0.219188 0.336202 0.930006 ] [ 0.351235 0.777351 0.943681 ] [ 0.148765 0.277351 0.556319 ] [ 0.648765 0.222649 0.056319 ] [ 0.851235 0.722649 0.443681 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Na" "Na" "Cr" "Cr" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.44116973 "source-unit" "angstrom" } "b" { "source-value" 7.93138455 "source-unit" "angstrom" } "c" { "source-value" 10.8399817431 "source-unit" "angstrom" } "beta" { "source-value" 90.6183619269 "source-unit" "degree" } }