{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] "source-value" [ 5.41274 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] "source-value" [ 0.00162551 5.52562 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] "source-value" [ 0.0447781 -0.0207227 5.37358 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.462209849372878e-10 -2.59722923944391e-09 9.777135588400548e-09 ] [ -9.797877206715763e-10 2.413175995776269e-10 2.1367027959144e-10 ] [ -5.034982464365589e-09 -6.060278569992031e-09 -2.995969183551227e-09 ] [ 4.088463781007263e-09 4.425661717844721e-09 -2.060202226842104e-09 ] [ -8.117094596546074e-10 -9.527570784667355e-10 -6.701573154245896e-10 ] [ -5.779836137769792e-11 1.511044814608896e-09 -8.585472346388152e-09 ] [ 2.766262397726876e-09 1.171591013089352e-09 4.819224548637247e-09 ] [ -8.166691576019559e-10 2.260649902999743e-09 -4.982293444231622e-10 ] ] "source-value" [ [ 0.5281696 -1.621063 6.1024081 ] [ -0.6115354 0.1506186 0.1333625 ] [ -3.1425889 -3.7825284 -1.8699369 ] [ 2.5518184 2.7622808 -1.2858771 ] [ -0.5066292 -0.5946642 -0.4182793 ] [ -0.0360749 0.94312 -5.3586304 ] [ 1.7265652 0.7312496 3.0079234 ] [ -0.5097248 1.4109867 -0.3109703 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -3.91133e-12 1.8955e-12 -1.94937e-11 ] [ 1.34586e-10 1.33293e-10 1.3663e-10 ] [ 9.13327e-12 2.8499e-10 2.77756e-10 ] [ 1.30939e-10 4.04312e-10 4.06983e-10 ] [ 2.74681e-10 -3.01059e-12 2.75341e-10 ] [ 4.03842e-10 1.37613e-10 4.21696e-10 ] [ 2.56627e-10 2.70409e-10 -1.78064e-12 ] [ 4.07687e-10 4.07853e-10 1.33472e-10 ] ] "source-value" [ [ -0.0391133 0.018955 -0.194937 ] [ 1.34586 1.33293 1.3663 ] [ 0.0913327 2.8499 2.77756 ] [ 1.30939 4.04312 4.06983 ] [ 2.74681 -0.0301059 2.75341 ] [ 4.03842 1.37613 4.21696 ] [ 2.56627 2.70409 -0.0178064 ] [ 4.07687 4.07853 1.33472 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.604548081959223e-18 "source-value" -34.980838 } }