{ "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" [ [ 0.038094 0.358195 0.776599 ] [ 0.461906 0.858195 0.723401 ] [ 0.961906 0.641805 0.223401 ] [ 0.538094 0.141805 0.276599 ] [ 0.556483 0.395891 0.928814 ] [ 0.943517 0.895891 0.571186 ] [ 0.443517 0.604109 0.071186 ] [ 0.056483 0.104109 0.428814 ] [ 0.598284 0.503004 0.735608 ] [ 0.901716 0.003004 0.764392 ] [ 0.401716 0.496996 0.264392 ] [ 0.098284 0.996996 0.235608 ] [ 0.820304 0.315704 0.026033 ] [ 0.679696 0.815704 0.473967 ] [ 0.179696 0.684296 0.973967 ] [ 0.320304 0.184296 0.526033 ] [ 0.347899 0.203507 0.936421 ] [ 0.152101 0.703507 0.563579 ] [ 0.652101 0.796493 0.063579 ] [ 0.847899 0.296493 0.436421 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "P" "P" "P" "P" "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" 6.63060733792 "source-unit" "angstrom" } "b" { "source-value" 7.73139703 "source-unit" "angstrom" } "c" { "source-value" 9.45361406034 "source-unit" "angstrom" } "beta" { "source-value" 91.4663387896 "source-unit" "degree" } }