{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6835577 -1.7359542 2.4407569 ] [ 4.2033318 -0.9262161 -6.0141326 ] [ -22.6713311 14.6229529 10.1177934 ] [ 1.4219683 -3.4860205 -20.7309613 ] [ 17.0751611 -18.0264032 9.463888 ] [ -0.7126878 9.5516411 4.7226556 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.09518016590782e-09 -2.781305234019567e-09 3.910523642236284e-09 ] [ 6.734479939425181e-09 -1.483961781228555e-09 -9.63570264611112e-09 ] [ -3.632347665083594e-08 2.342855326343956e-08 1.621049203956454e-08 ] [ 2.278244365778721e-09 -5.585220544729526e-09 -3.321466152156957e-08 ] [ 2.735742391081361e-08 -2.888148176415431e-08 1.516282009546967e-08 ] [ -1.141851731089386e-09 1.530341606069239e-08 7.566528390410197e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 6.7785149 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.086037809652445e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4082448 -0.5900606 0.2992214 ] [ -0.032822 -0.4629924 2.3536943 ] [ 0.4985304 1.9580158 2.5805708 ] [ 1.9433652 1.8305998 0.5208262 ] [ 2.4260048 0.3030014 2.4944456 ] [ 2.9139208 2.786477 2.6830654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4082448e-10 -5.900606000000001e-11 2.992214000000001e-11 ] [ -3.2822e-12 -4.629924e-11 2.3536943e-10 ] [ 4.985304e-11 1.9580158e-10 2.5805708e-10 ] [ 1.9433652e-10 1.8305998e-10 5.208262e-11 ] [ 2.4260048e-10 3.030014e-11 2.4944456e-10 ] [ 2.9139208e-10 2.786477e-10 2.6830654e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.53e-05 -2.62e-05 3.17e-05 ] [ 1.63e-05 0.0 -3e-05 ] [ 4.2e-06 3.13e-05 -1.99e-05 ] [ -9.6e-06 9.4e-06 6.08e-05 ] [ 2.06e-05 2.9e-06 -3.6e-05 ] [ -1.62e-05 -1.74e-05 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.451330229824e-14 -4.197702746496e-14 5.078899887936e-14 ] [ 2.611547891904e-14 0.0 -4.8065298624e-14 ] [ 6.72914180736e-15 5.014812823104e-14 -3.188331475392e-14 ] [ -1.538089555968e-14 1.506046023552e-14 9.741233854464e-14 ] [ 3.300483838848e-14 4.646312200320001e-15 -5.76783583488e-14 ] [ -2.595526125696e-14 -2.787787320192e-14 -1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.556334 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.453705436495615e-18 } }