{ "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" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.8035109 -36.7142179 -13.8384337 ] [ -9.5315261 6.4466649 -29.0587998 ] [ 22.5579223 0.5715552 14.5164278 ] [ -18.7196943 10.5729337 18.1552726 ] [ -18.2673111 1.0926794 -17.4011415 ] [ 19.1570983 18.0303847 27.6266745 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.696072861737967e-09 -5.882266157033688e-08 -2.217161494263084e-08 ] [ -1.5271188277965e-08 1.032869578491197e-08 -4.655732966806771e-08 ] [ 3.614177572288296e-08 9.157323789366682e-10 2.325788123869118e-08 ] [ -2.999225655598302e-08 1.693970718740844e-08 2.908795330397083e-08 ] [ -2.926745876930033e-08 1.750665388709772e-09 -2.787970208653264e-08 ] [ 3.069305501862743e-08 2.888786083037002e-08 4.426281199435153e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 17.709634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.837396155772479e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1644494 0.5805398 1.4487375 ] [ 0.168194 2.6215136 0.2099261 ] [ 0.6215909 1.9999381 2.6799068 ] [ 3.0040607 1.1266146 3.1837746 ] [ 2.5506623 1.7481956 0.71379 ] [ 2.0078117 3.1675848 1.9449633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1644494e-10 5.805398000000001e-11 1.4487375e-10 ] [ 1.68194e-11 2.6215136e-10 2.099261e-11 ] [ 6.215909e-11 1.9999381e-10 2.6799068e-10 ] [ 3.0040607e-10 1.1266146e-10 3.1837746e-10 ] [ 2.5506623e-10 1.7481956e-10 7.137900000000001e-11 ] [ 2.0078117e-10 3.167584800000001e-10 1.9449633e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.19e-05 -4.91e-05 -4.98e-05 ] [ -1.96e-05 -2.77e-05 2.09e-05 ] [ -8.5e-06 -1.6e-06 -1.68e-05 ] [ 1.81e-05 4.7e-06 -3.4e-05 ] [ 4.34e-05 -3.16e-05 6.36e-05 ] [ 2.85e-05 0.0001053 1.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.917473282752e-14 -7.866687208128001e-14 -7.978839571583999e-14 ] [ -3.140266176767999e-14 -4.438029239616e-14 3.348549137472e-14 ] [ -1.36185012768e-14 -2.56348259328e-15 -2.691656722944e-14 ] [ 2.899939683648e-14 7.53023011776e-15 -5.44740051072e-14 ] [ 6.953446534272e-14 -5.062878121728e-14 1.0189843308288e-13 ] [ 4.56620336928e-14 1.6870919817024e-13 2.56348259328e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.197537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.075784495834297e-18 } }