{ "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" [ [ 0.1860509 3.95381 2.613527 ] [ 1.567846 3.644648 0.7971861 ] [ 2.293743 3.741388 3.176886 ] [ 3.786148 2.787453 1.709706 ] [ 5.865671 2.396852 2.649651 ] [ 3.786965 2.496542 4.574471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.860509e-11 3.95381e-10 2.613527e-10 ] [ 1.567846e-10 3.644648e-10 7.971861000000001e-11 ] [ 2.293743e-10 3.741388e-10 3.176886e-10 ] [ 3.786148e-10 2.787453e-10 1.709706e-10 ] [ 5.865671e-10 2.396852e-10 2.649651e-10 ] [ 3.786965e-10 2.496542e-10 4.574471e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6864996 0.297784 1.0305203 ] [ -1.4155892 0.0757976 -6.7128605 ] [ 2.2730042 2.4207238 6.2578481 ] [ 2.0195751 -1.4804018 -4.2905146 ] [ 0.9332178 -0.1331314 0.9301344 ] [ 0.8762918 -1.1807722 2.7848723 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.508600092508552e-09 4.771025628483072e-10 1.651075531919802e-09 ] [ -2.268023920896976e-09 1.214411426327501e-10 -1.07551881517918e-08 ] [ 3.641754188220208e-09 3.878427077774136e-09 1.00261779223377e-08 ] [ 3.235716009169822e-09 -2.371865153350238e-09 -6.874162183321063e-09 ] [ 1.49517974127441e-09 -2.133000165743731e-10 1.490239589881836e-09 ] [ 1.403974234958749e-09 -1.891805613330582e-09 4.461857290973524e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.821135 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.122133161920608e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5820237 3.5161432 2.6486364 ] [ 1.7032129 3.0331323 0.5675805 ] [ 2.6469543 4.2941454 3.6318495 ] [ 3.8092462 3.7934801 1.4744524 ] [ 4.9330959 1.9504306 2.5589202 ] [ 3.8118909 2.4333614 4.6399879 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.820237000000001e-11 3.5161432e-10 2.6486364e-10 ] [ 1.7032129e-10 3.0331323e-10 5.675805e-11 ] [ 2.6469543e-10 4.2941454e-10 3.6318495e-10 ] [ 3.8092462e-10 3.7934801e-10 1.4744524e-10 ] [ 4.9330959e-10 1.9504306e-10 2.5589202e-10 ] [ 3.8118909e-10 2.4333614e-10 4.6399879e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.9e-06 -8.9e-06 1.09e-05 ] [ -2.23e-05 1.01e-05 -4.39e-05 ] [ 4.3e-06 2.8e-06 1.05e-05 ] [ 2.19e-05 -1.46e-05 -4.2e-06 ] [ -4.7e-06 1.04e-05 1.3e-06 ] [ 1.07e-05 3e-07 2.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.586154854592e-14 -1.425937192512e-14 1.746372516672e-14 ] [ -3.572853864384e-14 1.618198387008e-14 -7.033555365312e-14 ] [ 6.889359469440001e-15 4.48609453824e-15 1.68228545184e-14 ] [ 3.508766799552e-14 -2.339177866368e-14 -6.72914180736e-15 ] [ -7.53023011776e-15 1.666263685632e-14 2.08282960704e-15 ] [ 1.714328984256e-14 4.8065298624e-16 4.069528616832e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.9523637 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.434326782103859e-18 } }