{ "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" [ [ 0.37473 0 0.649671 ] [ 0 0.189636 0.5 ] [ 0 0.810364 0.5 ] [ 0 0.256146 0 ] [ 0.62527 0 0.350329 ] [ 0 0.743854 0 ] [ 0.87473 0.5 0.649671 ] [ 0.5 0.689636 0.5 ] [ 0.5 0.310364 0.5 ] [ 0.5 0.756146 0 ] [ 0.12527 0.5 0.350329 ] [ 0.5 0.243854 0 ] [ 0.172147 0 0.145599 ] [ 0.827853 0 0.854401 ] [ 0.672147 0.5 0.145599 ] [ 0.327853 0.5 0.854401 ] [ 0.29544 0.136802 0.265452 ] [ 0.097425 0 0.837948 ] [ 0.902575 0 0.162052 ] [ 0.70456 0.863198 0.734548 ] [ 0.70456 0.136802 0.734548 ] [ 0.29544 0.863198 0.265452 ] [ 0.79544 0.636802 0.265452 ] [ 0.597425 0.5 0.837948 ] [ 0.402575 0.5 0.162052 ] [ 0.20456 0.363198 0.734548 ] [ 0.20456 0.636802 0.734548 ] [ 0.79544 0.363198 0.265452 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Fe" "Fe" "Fe" "Fe" "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" 7.24294961287 "source-unit" "angstrom" } "b" { "source-value" 11.294296351 "source-unit" "angstrom" } "c" { "source-value" 6.58177832616 "source-unit" "angstrom" } "beta" { "source-value" 101.383650861 "source-unit" "degree" } }