{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.5116566 -8.0819852 -8.3045265 ] [ -2.4528288 -7.3105368 0.3461677 ] [ 5.0087709 -5.9536062 -0.2875508 ] [ -5.1559409 5.5198313 -15.3524659 ] [ 3.0979935 -1.9374852 19.1444639 ] [ -2.7806883 13.2015469 4.555139 ] [ 11.7943503 4.5622352 -0.1012273 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.523935382959802e-08 -1.294876773709161e-08 -1.330531820511405e-08 ] [ -3.929864958184919e-09 -1.171277114645805e-08 5.546217958161082e-10 ] [ 8.024935634923375e-09 -9.53872866308993e-09 -4.607071690523366e-10 ] [ -8.260727968206512e-09 8.843744659620073e-09 -2.459736193660923e-08 ] [ 4.963532757090365e-09 -3.104193490586012e-09 3.067281247832959e-08 ] [ -4.455153783992097e-09 2.115120980157472e-08 7.298137210294291e-09 ] [ 1.889663230818547e-08 7.309506576030812e-09 -1.621840134467078e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.05378 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.052752085386663e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.005019 2.3180239 2.9300524 ] [ 3.6399481 1.7003374 1.1492693 ] [ 4.1826968 1.1666505 3.5486229 ] [ 3.5680684 4.0924037 0.4649161 ] [ 4.9065325 3.3719214 2.5659859 ] [ 2.7533247 4.6906711 2.7395076 ] [ 3.5475747 3.3087421 4.6877709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.005019e-10 2.3180239e-10 2.9300524e-10 ] [ 3.6399481e-10 1.7003374e-10 1.1492693e-10 ] [ 4.182696800000001e-10 1.1666505e-10 3.5486229e-10 ] [ 3.5680684e-10 4.0924037e-10 4.649161e-11 ] [ 4.906532500000001e-10 3.3719214e-10 2.5659859e-10 ] [ 2.7533247e-10 4.690671100000001e-10 2.7395076e-10 ] [ 3.5475747e-10 3.3087421e-10 4.687770900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-07 1.31e-05 1.49e-05 ] [ 8.9e-06 -1.16e-05 6.7e-06 ] [ 1.8e-06 4.2e-06 -1.26e-05 ] [ -2.2e-06 1.22e-05 2.25e-05 ] [ -5.3e-06 -5e-07 -1.09e-05 ] [ 8.7e-06 -1.45e-05 -2e-05 ] [ -1.13e-05 -3e-06 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-16 2.098851373248e-14 2.387243164992e-14 ] [ 1.425937192512e-14 -1.858524880128e-14 1.073458335936e-14 ] [ 2.88391791744e-15 6.72914180736e-15 -2.018742542208e-14 ] [ -3.52478856576e-15 1.954655477376e-14 3.604897396800001e-14 ] [ -8.491536090240001e-15 -8.010883104e-16 -1.746372516672e-14 ] [ 1.393893660096e-14 -2.32315610016e-14 -3.2043532416e-14 ] [ -1.810459581504e-14 -4.8065298624e-15 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737757516974e-18 } }