{ "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" [ [ 0.999564 0.750037 0.99834 ] [ 0.999564 0.249963 0.99834 ] [ 0.501101 0.249514 0.502201 ] [ 0.501101 0.750486 0.502201 ] [ 0.024787 0.5 0.278918 ] [ 0.980453 0 0.725821 ] [ 0.518908 0 0.221847 ] [ 0.479192 0.5 0.776642 ] [ 0.912392 0.5 0.598459 ] [ 0.582457 0.5 0.089369 ] [ 0.415788 0 0.905192 ] [ 0.088682 0 0.406994 ] [ 0.791346 0.5 0.457175 ] [ 0.774016 0.707189 0.668407 ] [ 0.774016 0.292811 0.668407 ] [ 0.765257 0 0.398239 ] [ 0.739415 0 0.899407 ] [ 0.718491 0.706746 0.160827 ] [ 0.718491 0.293254 0.160827 ] [ 0.70524 0.5 0.94801 ] [ 0.298424 0 0.047419 ] [ 0.274599 0.205954 0.834478 ] [ 0.274599 0.794046 0.834478 ] [ 0.259584 0.5 0.092967 ] [ 0.236485 0.5 0.601273 ] [ 0.233047 0.203529 0.336738 ] [ 0.233047 0.796471 0.336738 ] [ 0.199957 0 0.550287 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 4.73502645 "source-unit" "angstrom" } "b" { "source-value" 5.97256737 "source-unit" "angstrom" } "c" { "source-value" 10.19185803 "source-unit" "angstrom" } "beta" { "source-value" 90.08639594 "source-unit" "degree" } }