{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.025729 0.362266 0.06655 ] [ 0.94529 0.384622 0.735511 ] [ 0.05471 0.884622 0.764489 ] [ 0.974271 0.862266 0.43345 ] [ 0.525729 0.137734 0.93345 ] [ 0.44529 0.115378 0.264489 ] [ 0.55471 0.615378 0.235511 ] [ 0.474271 0.637734 0.56655 ] [ 0.958061 0.965886 0.117898 ] [ 0.041939 0.465886 0.382102 ] [ 0.458061 0.534114 0.882102 ] [ 0.541939 0.034114 0.617898 ] [ 0.228536 0.922878 0.563911 ] [ 0.242369 0.662363 0.380661 ] [ 0.21306 0.670669 0.790694 ] [ 0.138248 0.407525 0.562089 ] [ 0.134363 0.977627 0.290318 ] [ 0.865637 0.477627 0.209682 ] [ 0.861752 0.907525 0.937911 ] [ 0.78694 0.170669 0.709306 ] [ 0.757631 0.162363 0.119339 ] [ 0.771464 0.422878 0.936089 ] [ 0.728536 0.577122 0.436089 ] [ 0.742369 0.837637 0.619339 ] [ 0.71306 0.829331 0.209306 ] [ 0.638248 0.092475 0.437911 ] [ 0.634363 0.522373 0.709682 ] [ 0.365637 0.022373 0.790318 ] [ 0.361752 0.592475 0.062089 ] [ 0.28694 0.329331 0.290694 ] [ 0.257631 0.337637 0.880661 ] [ 0.271464 0.077122 0.063911 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.12109342 "source-unit" "angstrom" } "b" { "source-value" 8.126502 "source-unit" "angstrom" } "c" { "source-value" 9.81487636 "source-unit" "angstrom" } }