{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.839954 1.796871 1.93364 ] [ 2.210383 3.445619 3.048606 ] [ 3.819674 1.353604 3.225037 ] [ 4.546382 3.666644 2.852587 ] [ 3.625014 3.17012 0.7912526 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.839954e-10 1.796871e-10 1.93364e-10 ] [ 2.210383e-10 3.445619e-10 3.048606e-10 ] [ 3.819674e-10 1.353604e-10 3.225037e-10 ] [ 4.546382e-10 3.666644e-10 2.852587000000001e-10 ] [ 3.625014e-10 3.17012e-10 7.912526e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5184303 -5.0011 -3.663824 ] [ 1.0028064 4.726294 3.280433 ] [ -0.3747864 0.7721082 0.0532759 ] [ 0.6352815 -0.4419038 0.1724659 ] [ -0.7448713 -0.0553984 0.1576492 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.306169061743304e-10 -8.01264549828288e-09 -5.870093155525939e-09 ] [ 1.606672969268613e-09 7.572357749827315e-09 5.255833058700806e-09 ] [ -6.004740078737971e-10 1.237053706767971e-09 8.535740143207873e-11 ] [ 1.017833166926755e-09 -7.080079370026791e-10 2.763208328652307e-10 ] [ -1.193415382364903e-09 -8.875802130972672e-11 2.525818625278234e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -3.9141113992349474 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.271097775061008e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1437222 1.5558564 1.6830897 ] [ 2.3553058 3.4839782 3.03762 ] [ 3.5752287 1.5231656 3.5516469 ] [ 4.6993123 3.4186001 2.7236729 ] [ 3.267838 3.4512577 0.8550931 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1437222e-10 1.5558564e-10 1.6830897e-10 ] [ 2.3553058e-10 3.4839782e-10 3.03762e-10 ] [ 3.5752287e-10 1.5231656e-10 3.5516469e-10 ] [ 4.6993123e-10 3.4186001e-10 2.7236729e-10 ] [ 3.267838e-10 3.451257700000001e-10 8.550931000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-06 -5.59e-05 -2.3e-06 ] [ 2.52e-05 4.7e-06 1.66e-05 ] [ -1.59e-05 -1.82e-05 5.47e-05 ] [ 6e-07 -8.3e-06 3.3e-06 ] [ -4.8e-06 7.78e-05 -7.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-15 -8.956167310272e-14 -3.68500622784e-15 ] [ 4.037485084416e-14 7.53023011776e-15 2.659613190528e-14 ] [ -2.547460827072e-14 -2.915961449856e-14 8.763906115775999e-14 ] [ 9.6130597248e-16 -1.329806595264e-14 5.28718284864e-15 ] [ -7.69044777984e-15 1.2464934109824e-13 -1.1583736968384e-13 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }