{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.662923 0 0.882723 ] [ 0.986067 0 0.983313 ] [ 0.990791 0 0.502779 ] [ 0.325957 0 0.408794 ] [ 0.162923 0.5 0.882723 ] [ 0.486067 0.5 0.983313 ] [ 0.490791 0.5 0.502779 ] [ 0.825957 0.5 0.408794 ] [ 0.830921 0 0.215401 ] [ 0.917159 0.255542 0.71266 ] [ 0.917159 0.744458 0.71266 ] [ 0.330921 0.5 0.215401 ] [ 0.417159 0.755542 0.71266 ] [ 0.417159 0.244458 0.71266 ] [ 0.677717 0 0.503823 ] [ 0.346638 0 0.976423 ] [ 0.177717 0.5 0.503823 ] [ 0.846638 0.5 0.976423 ] [ 0.085254 0.253095 0.215924 ] [ 0.085254 0.746905 0.215924 ] [ 0.171359 0 0.714274 ] [ 0.585254 0.753095 0.215924 ] [ 0.585254 0.246905 0.215924 ] [ 0.671359 0.5 0.714274 ] [ 0.086915 0.237693 0.594369 ] [ 0.514461 0 0.338801 ] [ 0.663253 0 0.105172 ] [ 0.001469 0 0.315611 ] [ 0.006776 0 0.803374 ] [ 0.086915 0.762307 0.594369 ] [ 0.736488 0.775829 0.340113 ] [ 0.736488 0.224171 0.340113 ] [ 0.163327 0 0.102584 ] [ 0.841177 0 0.599122 ] [ 0.252814 0.779669 0.842273 ] [ 0.252814 0.220331 0.842273 ] [ 0.326591 0 0.606187 ] [ 0.923989 0.243099 0.100198 ] [ 0.485912 0 0.838398 ] [ 0.923989 0.756901 0.100198 ] [ 0.586915 0.737693 0.594369 ] [ 0.014461 0.5 0.338801 ] [ 0.163253 0.5 0.105172 ] [ 0.501469 0.5 0.315611 ] [ 0.506776 0.5 0.803374 ] [ 0.586915 0.262307 0.594369 ] [ 0.236488 0.275829 0.340113 ] [ 0.236488 0.724171 0.340113 ] [ 0.663327 0.5 0.102584 ] [ 0.341177 0.5 0.599122 ] [ 0.752814 0.279669 0.842273 ] [ 0.752814 0.720331 0.842273 ] [ 0.826591 0.5 0.606187 ] [ 0.423989 0.743099 0.100198 ] [ 0.985912 0.5 0.838398 ] [ 0.423989 0.256901 0.100198 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 10.63885318 "source-unit" "angstrom" } "b" { "source-value" 6.1916683 "source-unit" "angstrom" } "c" { "source-value" 9.90563243 "source-unit" "angstrom" } "beta" { "source-value" 90.26310256 "source-unit" "degree" } }