{ "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" [ [ 1.2843303 2.4721339 -0.5306983 ] [ -0.654433 -0.5548944 -0.6002567 ] [ 0.3002586 0.1983966 -0.5707963 ] [ -0.1280855 -0.1004173 -0.9814798 ] [ 1.1426467 -0.0611998 0.3009177 ] [ 0.3866866 -2.3570858 -1.1978105 ] [ -0.4051887 0.8380368 1.7901497 ] [ -1.926215 -0.43497 1.7899742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.05772399699821e-09 3.960795170699293e-09 -8.50272415963522e-10 ] [ -1.048517261118522e-09 -8.890388420174495e-10 -9.617172591419476e-10 ] [ 4.810673130775523e-10 3.178663967850444e-10 -9.145164946336541e-10 ] [ -2.05215595254207e-10 -1.608862517093682e-10 -1.572504002302993e-09 ] [ 1.830721843657208e-09 -9.805288956547318e-11 4.821233076970218e-10 ] [ 6.195402352009043e-10 -3.776467793093197e-09 -1.919103995059857e-09 ] [ -6.491838675008358e-10 1.342682979392131e-09 2.868136020702109e-09 ] [ -3.08613666506031e-09 -6.9689877049098e-10 2.867854838702842e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.880547292303476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.588479785286059e-18 } }