{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] "source-value" [ 5.51626 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] "source-value" [ 0.0156708 5.55287 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] "source-value" [ 0.0707378 -0.0779479 5.31818 ] } "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" [ [ -1.800835626978178e-09 3.002366835015744e-10 -1.74981719640672e-11 ] [ -8.703574552943155e-10 -2.581684921868909e-10 6.871516028414151e-10 ] [ -1.170180937445386e-09 1.263367214717341e-09 -6.933279937145991e-10 ] [ 9.020765469446037e-10 1.59475501825713e-09 -2.42889815495618e-09 ] [ -6.424114615762234e-10 -1.29179495493552e-09 2.433861377692093e-09 ] [ 2.707042425033543e-10 -2.276210562776277e-09 -4.381409920013549e-10 ] [ 7.777751986084013e-10 1.79495692052114e-10 -1.165320734666189e-09 ] [ 2.533229333020082e-09 4.88319401370528e-10 1.622173066768881e-09 ] ] "source-value" [ [ -1.1239932 0.187393 -0.0109215 ] [ -0.5432344 -0.1611361 0.4288863 ] [ -0.7303695 0.7885318 -0.4327413 ] [ 0.5630319 0.9953678 -1.515999 ] [ -0.4009617 -0.806275 1.5190968 ] [ 0.1689603 -1.4206989 -0.2734661 ] [ 0.4854491 0.1120324 -0.727336 ] [ 1.5811174 0.304785 1.0124808 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.42334e-12 -1.78769e-12 8.66315e-12 ] [ 1.37385e-10 1.41168e-10 1.32363e-10 ] [ 2.7051e-12 2.64271e-10 2.7677e-10 ] [ 1.3087e-10 3.96384e-10 4.18589e-10 ] [ 2.72942e-10 8.082370000000001e-13 2.56914e-10 ] [ 4.1019e-10 1.31789e-10 4.05807e-10 ] [ 2.73169e-10 2.7615e-10 7.42825e-12 ] [ 4.00667e-10 4.08894e-10 1.33622e-10 ] ] "source-value" [ [ 0.0442334 -0.0178769 0.0866315 ] [ 1.37385 1.41168 1.32363 ] [ 0.027051 2.64271 2.7677 ] [ 1.3087 3.96384 4.18589 ] [ 2.72942 0.00808237 2.56914 ] [ 4.1019 1.31789 4.05807 ] [ 2.73169 2.7615 0.0742825 ] [ 4.00667 4.08894 1.33622 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.39638326217834e-17 "source-value" 149.57048 } }