{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.111749 0.722168 0.085928 ] [ 0.888251 0.722168 0.914072 ] [ 0.888251 0.277832 0.914072 ] [ 0.111749 0.277832 0.085928 ] [ 0.731727 0.112965 0.844218 ] [ 0.268273 0.112965 0.155782 ] [ 0.268273 0.887035 0.155782 ] [ 0.731727 0.887035 0.844218 ] [ 0.101589 0.613729 0.453053 ] [ 0.898411 0.613729 0.546947 ] [ 0.898411 0.386271 0.546947 ] [ 0.101589 0.386271 0.453053 ] [ 0.611749 0.222168 0.085928 ] [ 0.388251 0.222168 0.914072 ] [ 0.388251 0.777832 0.914072 ] [ 0.611749 0.777832 0.085928 ] [ 0.231727 0.612965 0.844218 ] [ 0.768273 0.612965 0.155782 ] [ 0.768273 0.387035 0.155782 ] [ 0.231727 0.387035 0.844218 ] [ 0.601589 0.113729 0.453053 ] [ 0.398411 0.113729 0.546947 ] [ 0.398411 0.886271 0.546947 ] [ 0.601589 0.886271 0.453053 ] [ 0 0.746068 0 ] [ 0 0.253932 0 ] [ 0.650937 0.142931 0.958611 ] [ 0.349063 0.142931 0.041389 ] [ 0.349063 0.857069 0.041389 ] [ 0.650937 0.857069 0.958611 ] [ 0.828308 0.177286 0.907342 ] [ 0.171692 0.177286 0.092658 ] [ 0.171692 0.822714 0.092658 ] [ 0.828308 0.822714 0.907342 ] [ 0.239487 0 0.115617 ] [ 0.760513 0 0.884383 ] [ 0 0.351672 0.5 ] [ 0 0.648328 0.5 ] [ 0.594607 0 0.39187 ] [ 0.405393 0 0.60813 ] [ 0.688632 0.870443 0.628615 ] [ 0.311368 0.870443 0.371385 ] [ 0.311368 0.129557 0.371385 ] [ 0.688632 0.129557 0.628615 ] [ 0.124457 0.320704 0.289787 ] [ 0.875543 0.320704 0.710213 ] [ 0.875543 0.679296 0.710213 ] [ 0.124457 0.679296 0.289787 ] [ 0.5 0.246068 0 ] [ 0.5 0.753932 0 ] [ 0.150937 0.642931 0.958611 ] [ 0.849063 0.642931 0.041389 ] [ 0.849063 0.357069 0.041389 ] [ 0.150937 0.357069 0.958611 ] [ 0.328308 0.677286 0.907342 ] [ 0.671692 0.677286 0.092658 ] [ 0.671692 0.322714 0.092658 ] [ 0.328308 0.322714 0.907342 ] [ 0.739487 0.5 0.115617 ] [ 0.260513 0.5 0.884383 ] [ 0.5 0.851672 0.5 ] [ 0.5 0.148328 0.5 ] [ 0.094607 0.5 0.39187 ] [ 0.905393 0.5 0.60813 ] [ 0.188632 0.370443 0.628615 ] [ 0.811368 0.370443 0.371385 ] [ 0.811368 0.629557 0.371385 ] [ 0.188632 0.629557 0.628615 ] [ 0.624457 0.820704 0.289787 ] [ 0.375543 0.820704 0.710213 ] [ 0.375543 0.179296 0.710213 ] [ 0.624457 0.179296 0.289787 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 14.2159857905 "source-unit" "angstrom" } "b" { "source-value" 13.7855714962 "source-unit" "angstrom" } "c" { "source-value" 7.53560988526 "source-unit" "angstrom" } "beta" { "source-value" 102.180929415 "source-unit" "degree" } }