{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9659773 -12.9946309 4.3853349 ] [ -13.5302025 18.8791767 -5.1170759 ] [ -13.0812532 -9.8688402 0.5736171 ] [ 0.7244555 -1.085359 -11.577963 ] [ 4.2234691 5.1755831 12.401154 ] [ 3.1185885 -5.4776539 1.4403153 ] [ 15.5789653 5.3717242 -2.1053823 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.752019487883508e-09 -2.081969382390526e-08 7.026081051158307e-09 ] [ -2.167777412018971e-08 3.02477755286921e-08 -8.198459373839119e-09 ] [ -2.095847804780519e-08 -1.581162504285119e-08 9.190359069110957e-10 ] [ 1.160705664909974e-09 -1.738936814974867e-09 -1.854994163508743e-08 ] [ 6.766743450691217e-09 8.292198241827588e-09 1.98688390097404e-08 ] [ 4.996529584595741e-09 -8.776169015413941e-09 2.307639500240538e-09 ] [ 2.496025397991446e-08 8.606450926625583e-09 -3.373194298906132e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.714369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.037066476002427e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6233649 2.2720903 3.6096355 ] [ 1.5095018 5.3585951 2.4545747 ] [ 0.4073155 2.9753908 2.4468693 ] [ 2.6108176 3.3216895 0.9619752 ] [ 2.9079761 4.6173317 4.5527765 ] [ 4.8222902 2.5205323 2.2456182 ] [ 4.2333712 5.0779733 2.3304405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6233649e-10 2.2720903e-10 3.6096355e-10 ] [ 1.5095018e-10 5.358595099999999e-10 2.4545747e-10 ] [ 4.073155e-11 2.9753908e-10 2.4468693e-10 ] [ 2.6108176e-10 3.3216895e-10 9.619752e-11 ] [ 2.9079761e-10 4.6173317e-10 4.5527765e-10 ] [ 4.822290200000001e-10 2.5205323e-10 2.2456182e-10 ] [ 4.2333712e-10 5.0779733e-10 2.3304405e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.9e-06 1.03e-05 2.67e-05 ] [ 3.94e-05 2.64e-05 2.49e-05 ] [ -2.26e-05 -1.4e-05 -5.2e-06 ] [ 2.06e-05 5e-05 4.11e-05 ] [ -1e-05 -2.79e-05 -7.81e-05 ] [ 4.18e-05 -1.02e-05 8.4e-06 ] [ -7.1e-05 -3.45e-05 -1.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.04413557952e-15 1.650241919424e-14 4.277811577536e-14 ] [ 6.312575885952001e-14 4.229746278912e-14 3.989419785791999e-14 ] [ -3.620919163008e-14 -2.24304726912e-14 -8.33131842816e-15 ] [ 3.300483838848e-14 8.010883104e-14 6.584945911488e-14 ] [ -1.6021766208e-14 -4.470072772032e-14 -1.2512999408448e-13 ] [ 6.697098274944e-14 -1.634220153216e-14 1.345828361472e-14 ] [ -1.137545400768e-13 -5.52750934176e-14 -2.867896151232001e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.847122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.820730134176534e-18 } }