{ "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" [ [ 0.496674 0.773351 0.279414 ] [ 0.496674 0.726649 0.779414 ] [ 0.503326 0.273351 0.220586 ] [ 0.503326 0.226649 0.720586 ] [ 0.190384 0.962524 0.649932 ] [ 0.190384 0.537476 0.149932 ] [ 0.809616 0.037476 0.350068 ] [ 0.809616 0.462524 0.850068 ] [ 0.00814 0.43282 0.691523 ] [ 0.521405 0.90004 0.821167 ] [ 0.704559 0.659555 0.684149 ] [ 0.500454 0.12954 0.551964 ] [ 0.499546 0.87046 0.448036 ] [ 0.00814 0.06718 0.191523 ] [ 0.500454 0.37046 0.051964 ] [ 0.478595 0.09996 0.178833 ] [ 0.295441 0.159555 0.815851 ] [ 0.478595 0.40004 0.678833 ] [ 0.521405 0.59996 0.321167 ] [ 0.499546 0.62954 0.948036 ] [ 0.987622 0.634352 0.959702 ] [ 0.253917 0.715435 0.665035 ] [ 0.746083 0.215435 0.834965 ] [ 0.012378 0.365648 0.040298 ] [ 0.746083 0.284565 0.334965 ] [ 0.99186 0.93282 0.808477 ] [ 0.295441 0.340445 0.315851 ] [ 0.253917 0.784565 0.165035 ] [ 0.012378 0.134352 0.540298 ] [ 0.704559 0.840445 0.184149 ] [ 0.99186 0.56718 0.308477 ] [ 0.987622 0.865648 0.459702 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Bi" "Bi" "Bi" "Bi" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.88511212 "source-unit" "angstrom" } "b" { "source-value" 12.13546743 "source-unit" "angstrom" } "c" { "source-value" 10.65923249 "source-unit" "angstrom" } "beta" { "source-value" 95.87627302 "source-unit" "degree" } }