{ "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" [ [ 0.318845 0.809993 0.806795 ] [ 0.245083 0.015585 0.780553 ] [ 0.178242 0.21566 0.698261 ] [ 0.212472 0.4184 0.640843 ] [ 0.818845 0.690007 0.806795 ] [ 0.745083 0.484415 0.780553 ] [ 0.678242 0.28434 0.698261 ] [ 0.712472 0.0816 0.640843 ] [ 0.287528 0.9184 0.359157 ] [ 0.321758 0.71566 0.301739 ] [ 0.254917 0.515585 0.219447 ] [ 0.181155 0.309993 0.193205 ] [ 0.787528 0.5816 0.359157 ] [ 0.821758 0.78434 0.301739 ] [ 0.754917 0.984415 0.219447 ] [ 0.681155 0.190007 0.193205 ] [ 0.309552 0.623147 0.752547 ] [ 0.809552 0.876853 0.752547 ] [ 0.190448 0.123147 0.247453 ] [ 0.690448 0.376853 0.247453 ] [ 0.486247 0.330731 0.969602 ] [ 0.115979 0.546639 0.792815 ] [ 0.989722 0.906235 0.582469 ] [ 0.986247 0.169269 0.969602 ] [ 0.615979 0.953361 0.792815 ] [ 0.091933 0.694605 0.560738 ] [ 0.489722 0.593765 0.582469 ] [ 0.591933 0.805395 0.560738 ] [ 0.408067 0.194605 0.439262 ] [ 0.510278 0.406235 0.417531 ] [ 0.908067 0.305395 0.439262 ] [ 0.384021 0.046639 0.207185 ] [ 0.013753 0.830731 0.030398 ] [ 0.010278 0.093765 0.417531 ] [ 0.884021 0.453361 0.207185 ] [ 0.513753 0.669269 0.030398 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.99879988 "source-unit" "angstrom" } "b" { "source-value" 19.66310935 "source-unit" "angstrom" } "c" { "source-value" 7.01515577 "source-unit" "angstrom" } "beta" { "source-value" 112.86154543 "source-unit" "degree" } }