{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5329877 -2.332426 1.5558044 ] [ -0.622136 3.1483434 -2.3582754 ] [ -7.0694243 3.2543148 1.7705064 ] [ 0.8511025 -3.8333419 -2.3159852 ] [ 3.3527725 -5.7142012 2.9268741 ] [ 2.2654523 2.8272598 -0.8358595 ] [ 3.7552207 2.6500511 -0.7430648 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.058293707149401e-09 -3.736958437734083e-09 2.492673456754389e-09 ] [ -9.967717623702238e-10 5.044202231288115e-09 -3.778373742417004e-09 ] [ -1.13264664292918e-08 5.213987132240383e-09 2.836663984427457e-09 ] [ 1.363616538638985e-09 -6.141690822313164e-09 -3.710617372129817e-09 ] [ 5.371733758617764e-09 -9.15515964461476e-09 4.689369293679779e-09 ] [ 3.629654740501558e-09 4.529769589807513e-09 -1.339194560206923e-09 ] [ 6.016526861053123e-09 4.245849951325998e-09 -1.190521060107883e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.06199 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.092761517154166e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5894654 1.7012375 2.8651692 ] [ 1.8184033 4.2193407 1.151283 ] [ 1.8716295 3.9768158 3.7083471 ] [ 3.6837895 1.2123014 1.7060517 ] [ 4.3296894 1.4153809 4.1843167 ] [ 4.2312545 3.5326403 1.2775492 ] [ 4.2920065 3.8877256 3.7422351 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5894654e-10 1.7012375e-10 2.8651692e-10 ] [ 1.8184033e-10 4.2193407e-10 1.151283e-10 ] [ 1.8716295e-10 3.9768158e-10 3.7083471e-10 ] [ 3.6837895e-10 1.2123014e-10 1.7060517e-10 ] [ 4.3296894e-10 1.4153809e-10 4.1843167e-10 ] [ 4.231254500000001e-10 3.5326403e-10 1.2775492e-10 ] [ 4.2920065e-10 3.8877256e-10 3.7422351e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-07 -5.6e-06 9.84e-05 ] [ 2e-07 2.64e-05 8.7e-06 ] [ -1.66e-05 -3.42e-05 -8.31e-05 ] [ 6e-07 -7.3e-06 -3.73e-05 ] [ -1.9e-05 -1.13e-05 -1e-07 ] [ 2.17e-05 2.66e-05 -4.7e-06 ] [ 1.26e-05 5.4e-06 1.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883169999999e-16 -8.972189150399999e-15 1.576541807856e-13 ] [ 3.204353268e-16 4.22974631376e-14 1.39389367158e-14 ] [ -2.65961321244e-14 -5.479444088279999e-14 -1.331408782854e-13 ] [ 9.613059803999998e-16 -1.16958894282e-14 -5.97611884482e-14 ] [ -3.0441356046e-14 -1.81045959642e-14 -1.602176634e-16 ] [ 3.476723295779999e-14 4.26178984644e-14 -7.530230179799999e-15 ] [ 2.01874255884e-14 8.6517538236e-15 2.899939707539999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }