{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.675136 0.5 0.972851 ] [ 0.027943 0 0.703194 ] [ 0.297631 0 0.324907 ] [ 0.295957 0.5 0.323769 ] [ 0.978049 0.748076 0.344563 ] [ 0.978049 0.251924 0.344563 ] [ 0.664041 0.252556 0.644684 ] [ 0.664041 0.747444 0.644684 ] [ 0.361586 0.754394 0.01197 ] [ 0.361586 0.245606 0.01197 ] [ 0.66233 0.5 0.327982 ] [ 0.663934 0 0.33552 ] [ 0.001687 0.750018 0.003081 ] [ 0.001687 0.249982 0.003081 ] [ 0.333858 0.749995 0.664993 ] [ 0.333858 0.250005 0.664993 ] [ 0.934095 0.231576 0.82478 ] [ 0.934095 0.768424 0.82478 ] [ 0.843419 0.5 0.412667 ] [ 0.848639 0 0.42438 ] [ 0.573534 0.5 0.423954 ] [ 0.578348 0 0.435457 ] [ 0.892843 0.272294 0.07374 ] [ 0.892843 0.727706 0.07374 ] [ 0.563723 0.5 0.143732 ] [ 0.568425 0 0.155443 ] [ 0.185466 0.753531 0.115741 ] [ 0.185466 0.246469 0.115741 ] [ 0.512766 0.730811 0.772683 ] [ 0.512766 0.269189 0.772683 ] [ 0.223403 0.766293 0.733753 ] [ 0.223403 0.233707 0.733753 ] [ 0.262342 0.752636 0.481822 ] [ 0.262342 0.247364 0.481822 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "C" "C" "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" 8.19034608 "source-unit" "angstrom" } "b" { "source-value" 6.24190875 "source-unit" "angstrom" } "c" { "source-value" 8.20562681 "source-unit" "angstrom" } "beta" { "source-value" 119.78255644 "source-unit" "degree" } }