{ "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" [ 5.51396 0 0 ] "si-unit" "m" "si-value" [ 5.51396e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0181329 5.46551 0 ] "si-unit" "m" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.147171 -0.00272143 5.46493 ] "si-unit" "m" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5885136 2.5328606 -0.937008 ] [ -0.4310428 -0.4536808 -0.337719 ] [ 0.2239803 -0.0071924 -0.6483828 ] [ -0.0756757 -0.1475038 -1.1275401 ] [ 0.6888348 -0.0280413 0.3765924 ] [ 0.7296927 -2.3196412 -1.3532918 ] [ -0.7640741 0.988709 2.0926087 ] [ -1.9602287 -0.5655102 1.9347406 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.545079351742843e-09 4.05809003706546e-09 -1.501252311102566e-09 ] [ -6.906066967241702e-10 -7.268767710658407e-10 -5.410854861999551e-10 ] [ 3.588560001797702e-10 -1.152349512744192e-11 -1.038823763488842e-09 ] [ -1.212458373026746e-10 -2.36327139839159e-10 -1.806518387234494e-09 ] [ 1.103635012153444e-09 -4.492711527683905e-11 6.033675388509619e-10 ] [ 1.169096584308428e-09 -3.716474899284457e-09 -2.16821248308035e-09 ] [ -1.224181659578801e-09 1.584086444574547e-09 3.352728735622681e-09 ] [ -3.140632594561177e-09 -9.060472212639322e-10 3.099796156632565e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.049637 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.775788558972665e-18 } }