{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.248346 0.010894 0.223967 ] [ 0.248346 0.489106 0.223967 ] [ 0.751654 0.510894 0.776033 ] [ 0.751654 0.989106 0.776033 ] [ 0.809482 0.75 0.379428 ] [ 0.190518 0.25 0.620572 ] [ 0.743324 0.25 0.409268 ] [ 0.256676 0.75 0.590732 ] [ 0.718524 0.75 0.105369 ] [ 0.281476 0.25 0.894631 ] [ 0.282779 0.25 0.020035 ] [ 0.915028 0.75 0.18762 ] [ 0.546004 0.75 0.171835 ] [ 0.841384 0.070412 0.343617 ] [ 0.841384 0.429588 0.343617 ] [ 0.159447 0.75 0.432681 ] [ 0.490936 0.25 0.398044 ] [ 0.509064 0.75 0.601956 ] [ 0.840553 0.25 0.567319 ] [ 0.158616 0.570412 0.656383 ] [ 0.158616 0.929588 0.656383 ] [ 0.453996 0.25 0.828165 ] [ 0.084972 0.25 0.81238 ] [ 0.717221 0.75 0.979965 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sb" "Sb" "P" "P" "C" "C" "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" 6.06035643 "source-unit" "angstrom" } "b" { "source-value" 7.01048191 "source-unit" "angstrom" } "c" { "source-value" 9.94011255 "source-unit" "angstrom" } "beta" { "source-value" 97.03937593 "source-unit" "degree" } }