{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3951539 0.5691273 -0.2205519 ] [ -0.3727195 0.8310591 -0.9988696 ] [ 0.1794795 -0.0522185 0.7893069 ] [ 0.0185807 -0.4620963 -0.4582884 ] [ 0.7225528 0.5852073 2.561104 ] [ -1.2309287 0.2834232 -0.6692601 ] [ -0.3662048 -0.7471999 -0.8911865 ] [ 0.6540861 -1.0073022 -0.1122543 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.331063401979411e-10 9.118424543190279e-10 -3.533630978530195e-10 ] [ -5.971624690162656e-10 1.331503460523089e-09 -1.600365520347848e-09 ] [ 2.875578588128736e-10 -8.36632598732448e-11 1.264609061816124e-09 ] [ 2.976956313809856e-11 -7.403598884181831e-10 -7.342589600638387e-10 ] [ 1.157657203453578e-09 9.376054543814918e-10 4.103340952237363e-09 ] [ -1.972165185011737e-09 4.540940248323226e-10 -1.07227288545427e-09 ] [ -5.867247689847399e-10 -1.197146210844098e-09 -1.427838175072579e-09 ] [ 1.047961457410251e-09 -1.613876034920406e-09 -1.798512150442695e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.214967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.559230075924352e-18 } }