{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3393846 -1.6424717 1.8650997 ] [ -1.8428663 -0.0776542 -1.5738546 ] [ -1.8303345 0.6099765 0.1028021 ] [ 0.1145976 0.6213817 0.7066176 ] [ -0.7463385 0.9021594 -0.3431968 ] [ 1.5114714 -0.8930355 0.5764701 ] [ 0.4540858 0.4796438 -1.3339381 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.748107344059436e-09 -2.631529779746258e-09 2.98821915942041e-09 ] [ -2.952597325446034e-09 -1.244157447719628e-10 -2.521593065433416e-09 ] [ -2.932519168304072e-09 9.77290095589101e-10 1.647071225461314e-10 ] [ 1.836055970324784e-10 9.955632405351978e-10 1.132126207893158e-09 ] [ -1.195766105754609e-09 1.445418710823459e-09 -5.498618938235713e-10 ] [ 2.421644160039267e-09 -1.430800611432507e-09 9.236069244196433e-10 ] [ 7.275256585911971e-10 7.684740890029692e-10 -2.137204455022355e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.350199005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.940026007628758e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8922666 1.2724254 2.1638558 ] [ 2.2415678 0.3216728 4.223896 ] [ 2.1696934 2.5023232 5.1865497 ] [ 1.8233417 3.364773 3.0875175 ] [ 4.1753342 1.3875426 1.9539089 ] [ 4.2487793 1.6390445 4.3434696 ] [ 4.103502 3.5681773 2.9165946 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8922666e-10 1.2724254e-10 2.1638558e-10 ] [ 2.2415678e-10 3.216728e-11 4.223896e-10 ] [ 2.1696934e-10 2.5023232e-10 5.1865497e-10 ] [ 1.8233417e-10 3.364773e-10 3.0875175e-10 ] [ 4.1753342e-10 1.3875426e-10 1.9539089e-10 ] [ 4.2487793e-10 1.6390445e-10 4.3434696e-10 ] [ 4.103502e-10 3.5681773e-10 2.9165946e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.04e-05 -1.2e-06 -3.08e-05 ] [ 5.3e-06 1.82e-05 -7.8e-06 ] [ -3.3e-06 1.7e-05 8.2e-06 ] [ 2.4e-06 9e-07 2.89e-05 ] [ -3.25e-05 -3.47e-05 -2.7e-06 ] [ 7.2e-06 -2.92e-05 1.68e-05 ] [ -2.94e-05 2.9e-05 -1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.074970235359998e-14 -1.9226119608e-15 -4.93470403272e-14 ] [ 8.4915361602e-15 2.915961473879999e-14 -1.24969777452e-14 ] [ -5.2871828922e-15 2.723700277799999e-14 1.31378483988e-14 ] [ 3.845223921599999e-15 1.4419589706e-15 4.63029047226e-14 ] [ -5.207074060499999e-14 -5.55955291998e-14 -4.3258769118e-15 ] [ 1.15356717648e-14 -4.67835577128e-14 2.691656745119999e-14 ] [ -4.710399303959999e-14 4.6463122386e-14 -2.0027207925e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }