{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] "source-value" [ 5.37283 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] "source-value" [ -0.256601 5.36059 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] "source-value" [ 0.0433697 -0.246629 5.47376 ] } "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" [ [ 4.005649995178366e-09 5.357573036515889e-09 -6.858493056187302e-09 ] [ 6.255214758574119e-10 9.004887899133906e-10 8.162101340000967e-10 ] [ 1.227118449324728e-09 2.958585916893425e-09 -2.456962361299098e-09 ] [ -1.571853665857077e-09 -2.477853302475371e-09 2.061547254115265e-09 ] [ 2.082607865795682e-09 1.400013173699146e-09 9.16308842084832e-10 ] [ -8.404499447491662e-10 -4.293525725832806e-09 -2.126801344397856e-10 ] [ -1.653317938318274e-09 1.638666353556382e-09 1.044266197252038e-09 ] [ -3.87527623723167e-09 -5.483948242270055e-09 4.689803124473953e-09 ] ] "source-value" [ [ 2.5001301 3.3439341 -4.2807347 ] [ 0.3904198 0.5620409 0.5094383 ] [ 0.7659071 1.8466041 -1.5335153 ] [ -0.9810739 -1.5465544 1.2867166 ] [ 1.2998616 0.8738195 0.571915 ] [ -0.5245676 -2.679808 -0.1327445 ] [ -1.0319199 1.0227751 0.6517797 ] [ -2.4187572 -3.4228113 2.9271449 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.730498710908877e-18 "source-value" -35.76696 } }