{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.48581e-10 0.0 0.0 ] "source-value" [ 5.48581 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] "source-value" [ 0.00228581 5.44331 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] "source-value" [ -0.0206328 -0.0957916 5.42731 ] } "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" [ [ 7.17282456807504e-10 1.094282947000172e-09 -6.845852363302177e-10 ] [ -6.89348507423856e-10 1.693821764380408e-09 -1.646053989954891e-09 ] [ 2.229276561064224e-10 -3.30370741820905e-10 1.418349604471215e-09 ] [ 9.743573032330369e-11 -8.058349188567822e-10 -6.686711363911354e-10 ] [ 8.619785522205179e-10 6.510750714355373e-10 4.267855491796687e-09 ] [ -1.806091887818037e-09 7.497324614322009e-10 -9.657151625404414e-10 ] [ -7.656355063525997e-10 -1.153746290322205e-09 -1.638789560938522e-09 ] [ 1.361451345919083e-09 -1.898960293248426e-09 -8.239001011269504e-11 ] ] "source-value" [ [ 0.4476925 0.6829977 -0.4272845 ] [ -0.4302575 1.0572004 -1.0273861 ] [ 0.1391405 -0.2062012 0.8852642 ] [ 0.0608146 -0.5029626 -0.4173517 ] [ 0.5380047 0.4063691 2.6637859 ] [ -1.1272739 0.4679462 -0.602752 ] [ -0.4778721 -0.7201118 -1.022852 ] [ 0.8497511 -1.1852378 -0.0514238 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.847510796491088e-18 "source-value" -36.497292 } }