{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.6499468 -15.5126725 1.6766672 ] [ -3.7432129 6.067663 -10.719962 ] [ -10.4835485 10.0904744 3.9303807 ] [ 4.2651886 -8.20995 -4.7627605 ] [ 3.4113429 -3.5591233 0.5626179 ] [ 16.5311321 12.8491819 -2.3838293 ] [ 3.6690448 -1.7255735 11.696886 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.186962563812377e-08 -2.485404120562709e-08 2.686316988702198e-09 ] [ -5.997288195056969e-09 9.72146780149319e-09 -1.717527249226441e-08 ] [ -1.679649630972291e-08 1.616672217646091e-08 6.297164068383539e-09 ] [ 6.833585458222684e-09 -1.315378994793696e-08 -7.630783523569719e-09 ] [ 5.465573839912072e-09 -5.702344141804544e-09 9.014132458235924e-10 ] [ 2.648579336597641e-08 2.058665883658652e-08 -3.819315572438029e-09 ] [ 5.878457799227812e-09 -2.764673519172029e-09 1.874047728536283e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.7413361 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.596457850775051e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4441547 1.5254558 2.6166349 ] [ 3.194726 4.0591991 1.2461928 ] [ 1.8242083 3.8034645 3.2561437 ] [ 3.4630197 1.6292471 1.3297217 ] [ 5.1097402 1.9258937 3.0456815 ] [ 5.2076235 4.4716795 2.4930277 ] [ 3.8398146 3.6107133 4.5384809 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4441547e-10 1.5254558e-10 2.6166349e-10 ] [ 3.194726e-10 4.0591991e-10 1.2461928e-10 ] [ 1.8242083e-10 3.8034645e-10 3.2561437e-10 ] [ 3.4630197e-10 1.6292471e-10 1.3297217e-10 ] [ 5.109740200000001e-10 1.9258937e-10 3.0456815e-10 ] [ 5.207623500000001e-10 4.4716795e-10 2.4930277e-10 ] [ 3.8398146e-10 3.6107133e-10 4.5384809e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-06 -3e-06 1.09e-05 ] [ -1.9e-06 -1.02e-05 5.7e-06 ] [ 7e-06 -5.9e-06 -7.7e-06 ] [ -1.05e-05 1.37e-05 3e-06 ] [ -7.8e-06 1.08e-05 1.5e-06 ] [ 1.4e-05 2.4e-06 1.42e-05 ] [ -5e-06 -7.8e-06 -2.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.72914180736e-15 -4.8065298624e-15 1.746372516672e-14 ] [ -3.04413557952e-15 -1.634220153216e-14 9.13240673856e-15 ] [ 1.12152363456e-14 -9.45284206272e-15 -1.233675998016e-14 ] [ -1.68228545184e-14 2.194981970496e-14 4.8065298624e-15 ] [ -1.249697764224e-14 1.730350750464e-14 2.4032649312e-15 ] [ 2.24304726912e-14 3.84522388992e-15 2.275090801536e-14 ] [ -8.010883104e-15 -1.249697764224e-14 -4.422007473408001e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }