{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3808778 0.540404 -3.7531082 ] [ 0.7445772 -1.8880003 4.5405046 ] [ 1.5399023 -0.5465343 -0.8291197 ] [ -3.1601957 -5.0968364 3.8825579 ] [ 2.1658548 6.9268005 -3.8073016 ] [ -2.2658482 -0.2619485 -0.3908089 ] [ 2.3565874 0.326115 0.3572759 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.212410127341738e-09 8.658226545868033e-10 -6.01314221337277e-09 ] [ 1.192944182220726e-09 -3.024909940723387e-09 7.274690316754856e-09 ] [ 2.467195463376148e-09 -8.756444779252935e-10 -1.32839619918471e-09 ] [ -5.063191667692691e-09 -8.166032120122438e-09 6.220543496282344e-09 ] [ 3.47008192460746e-09 1.109795781804575e-08 -6.099969611854434e-09 ] [ -3.630289012321763e-09 -4.196877625536288e-10 -6.261448827805651e-10 ] [ 3.775669237151858e-09 5.22493828692192e-10 5.724190941552788e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -27.656442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.43105047869112e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.887672 1.0984559 2.5832653 ] [ 2.521089 2.6685236 0.8276407 ] [ 1.0636875 2.7217724 2.6163497 ] [ 2.2049407 2.2803084 4.608154 ] [ 2.7031005 4.1659532 3.3688722 ] [ 4.3425387 3.0691339 2.1864334 ] [ 4.4459246 1.9239857 4.1870383 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.887672e-10 1.0984559e-10 2.5832653e-10 ] [ 2.521089e-10 2.6685236e-10 8.276407e-11 ] [ 1.0636875e-10 2.7217724e-10 2.6163497e-10 ] [ 2.2049407e-10 2.2803084e-10 4.608154e-10 ] [ 2.7031005e-10 4.1659532e-10 3.3688722e-10 ] [ 4.3425387e-10 3.0691339e-10 2.1864334e-10 ] [ 4.4459246e-10 1.9239857e-10 4.1870383e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.01e-05 1.26e-05 3.51e-05 ] [ 3.32e-05 0.0001304 0.0001233 ] [ 5.4e-06 -7.38e-05 -0.0001294 ] [ 1.11e-05 -1.63e-05 0.000142 ] [ 3.37e-05 -3.72e-05 -0.0001308 ] [ -5.85e-05 -2.14e-05 6.2e-06 ] [ 2.52e-05 5.8e-06 -4.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.026904870208e-14 2.018742542208e-14 5.623639939008e-14 ] [ 5.319226381056e-14 2.0892383135232e-13 1.9754837734464e-13 ] [ 8.65175375232e-15 -1.1824063461504e-13 -2.0732165473152e-13 ] [ 1.778416049088e-14 -2.611547891904e-14 2.275090801536e-13 ] [ 5.399335212096e-14 -5.960097029376001e-14 -2.0956470200064e-13 ] [ -9.37273323168e-14 -3.428657968511999e-14 9.93349504896e-15 ] [ 4.037485084416e-14 9.292624400640001e-15 -7.434099520512001e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.398971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.87045206325772e-18 } }