{ "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" [ [ 0.547123 0.974702 0.256406 ] [ 0.452877 0.025298 0.743594 ] [ 0.047123 0.525298 0.756406 ] [ 0.952877 0.474702 0.243594 ] [ 0.180058 0.165996 0.267458 ] [ 0.680058 0.334004 0.767458 ] [ 0.319942 0.665996 0.232542 ] [ 0.819942 0.834004 0.732542 ] [ 0.000406 0.101379 0.93011 ] [ 0.999594 0.898621 0.06989 ] [ 0.500406 0.398621 0.43011 ] [ 0.499594 0.601379 0.56989 ] [ 0.236089 0.224075 0.007642 ] [ 0.011864 0.026911 0.689389 ] [ 0.488136 0.526911 0.810611 ] [ 0.74197 0.71852 0.502623 ] [ 0.75803 0.21852 0.997377 ] [ 0.988136 0.973089 0.310611 ] [ 0.763911 0.775925 0.992358 ] [ 0.263911 0.724075 0.492358 ] [ 0.25803 0.28148 0.497377 ] [ 0.24197 0.78148 0.002623 ] [ 0.736089 0.275925 0.507642 ] [ 0.511864 0.473089 0.189389 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.66687371165 "source-unit" "angstrom" } "b" { "source-value" 9.4389194 "source-unit" "angstrom" } "c" { "source-value" 8.68544264119 "source-unit" "angstrom" } "beta" { "source-value" 91.1585810822 "source-unit" "degree" } }