{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.729655 0.989013 0.933556 ] [ 0.270345 0.489013 0.066444 ] [ 0.227939 0.504985 0.55181 ] [ 0.772061 0.004985 0.44819 ] [ 0.777011 0.473354 0.67967 ] [ 0.222989 0.973354 0.32033 ] [ 0.575848 0.471383 0.837669 ] [ 0.020713 0.235731 0.725501 ] [ 0.978828 0.742811 0.70913 ] [ 0.420787 0.915723 0.57007 ] [ 0.579213 0.415723 0.42993 ] [ 0.021172 0.242811 0.29087 ] [ 0.979287 0.735731 0.274499 ] [ 0.424152 0.971383 0.162331 ] ] } "species" { "source-value" [ "K" "K" "Nd" "Nd" "Ge" "Ge" "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" 6.66957011 "source-unit" "angstrom" } "b" { "source-value" 6.77692523 "source-unit" "angstrom" } "c" { "source-value" 8.79097162 "source-unit" "angstrom" } "beta" { "source-value" 107.23540695 "source-unit" "degree" } }