{ "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" [ [ 1.617948 3.024291 1.012928 ] [ 1.30973 1.622672 3.703727 ] [ 2.879916 3.04735 3.836046 ] [ 0.9226834 3.798669 3.025472 ] [ 3.183378 1.61886 2.358361 ] [ 3.567629 4.016165 2.010815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.617948e-10 3.024291e-10 1.012928e-10 ] [ 1.30973e-10 1.622672e-10 3.703727e-10 ] [ 2.879916000000001e-10 3.04735e-10 3.836046e-10 ] [ 9.226834e-11 3.798669e-10 3.025472e-10 ] [ 3.183378e-10 1.61886e-10 2.358361e-10 ] [ 3.567629e-10 4.016165e-10 2.010815e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1474111 -5.7193673 -15.0346235 ] [ -50.0502902 -38.5655358 21.2725831 ] [ 22.7554569 44.1270371 60.2766115 ] [ -17.7946233 22.647331 4.2103008 ] [ 32.5115388 -37.8943908 -52.5950701 ] [ 11.4305066 15.4049258 -18.1298018 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.838355238866411e-09 -9.16343657382802e-09 -2.408812227423027e-08 ] [ -8.018940482269535e-08 -6.178879982738542e-08 3.408243530684519e-08 ] [ 3.645826104080204e-08 7.069930718679424e-08 9.657377772634442e-08 ] [ -2.851012942720295e-08 3.628502425171909e-08 6.745645508295536e-09 ] [ 5.208922737159208e-08 -6.071350699921861e-08 -8.426659168355713e-08 ] [ 1.83136904384201e-08 2.468141196191874e-08 -2.904714458369776e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.1606946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.147269747680881e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7082713 3.369321 0.834735 ] [ 1.2618782 1.2968416 4.0435081 ] [ 2.9234986 3.4574587 4.0898492 ] [ 0.4736197 3.6049366 3.0721697 ] [ 3.0300675 1.453159 2.1155682 ] [ 4.0839491 3.9462901 1.7915187 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7082713e-10 3.369321e-10 8.34735e-11 ] [ 1.2618782e-10 1.2968416e-10 4.0435081e-10 ] [ 2.9234986e-10 3.4574587e-10 4.0898492e-10 ] [ 4.736197e-11 3.6049366e-10 3.0721697e-10 ] [ 3.0300675e-10 1.453159e-10 2.1155682e-10 ] [ 4.0839491e-10 3.9462901e-10 1.7915187e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.99e-05 -2.91e-05 1.49e-05 ] [ -3.2e-06 -3.08e-05 3.4e-05 ] [ 1.38e-05 9.7e-06 -4.49e-05 ] [ 8.3e-06 2.05e-05 -1.12e-05 ] [ -1.65e-05 4.58e-05 -3.8e-05 ] [ -3.23e-05 -1.6e-05 4.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.790508096192e-14 -4.662333966527999e-14 2.387243164992e-14 ] [ -5.126965186560001e-15 -4.934703992064001e-14 5.44740051072e-14 ] [ 2.211003736704e-14 1.554111322176e-14 -7.193773027392e-14 ] [ 1.329806595264e-14 3.28446207264e-14 -1.794437815296e-14 ] [ -2.64359142432e-14 7.337968923264e-14 -6.08827115904e-14 ] [ -5.175030485184e-14 -2.56348259328e-14 7.241838326016e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.70725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.31766718310608e-18 } }