{ "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" [ [ 0.0317926 0.0463887 1.270674 ] [ 0.0111454 2.887791 2.968384 ] [ 2.5478 0.1715431 0.0845133 ] [ 1.93577 0.0052704 2.481441 ] [ 2.875434 2.93696 0.1676441 ] [ 2.282488 2.689422 2.770272 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.17926e-12 4.63887e-12 1.270674e-10 ] [ 1.11454e-12 2.887791e-10 2.968384e-10 ] [ 2.5478e-10 1.715431e-11 8.451330000000001e-12 ] [ 1.93577e-10 5.270399999999999e-13 2.481441e-10 ] [ 2.875434e-10 2.93696e-10 1.676441e-11 ] [ 2.282488e-10 2.689422e-10 2.770272e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.009287 -0.2836009 -1.6565947 ] [ -3.3925224 0.7602519 0.375327 ] [ 2.0355163 0.6939449 -1.0043426 ] [ 4.3971748 1.4248642 2.7004307 ] [ -0.2465705 -0.6420841 0.962919 ] [ 3.2156888 -1.953376 -1.3777395 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.62793913907737e-09 -4.543787316178387e-10 -2.65415729848119e-09 ] [ -5.435420074820306e-09 1.21805782009878e-09 6.013401445550017e-10 ] [ 3.261256627117319e-09 1.111822294903394e-09 -1.609134232993486e-09 ] [ 7.045050662130916e-09 2.282884109054895e-09 4.326566933630578e-09 ] [ -3.950494904789664e-10 -1.028732133607409e-09 1.542766309524115e-09 ] [ 5.152101415128408e-09 -3.129653358831821e-09 -2.207382016452682e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.112442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.4212801255596e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.4454948 0.1943553 2.0218786 ] [ -0.213707 2.7368641 2.6297275 ] [ 2.9094673 0.4130834 -0.1724006 ] [ 2.03934 0.0439044 2.1332529 ] [ 3.1412715 2.9555845 0.4354588 ] [ 2.2535531 2.3935835 2.6950112 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.454948e-11 1.943553e-11 2.0218786e-10 ] [ -2.13707e-11 2.7368641e-10 2.6297275e-10 ] [ 2.9094673e-10 4.130834e-11 -1.724006e-11 ] [ 2.03934e-10 4.390440000000001e-12 2.1332529e-10 ] [ 3.141271500000001e-10 2.9555845e-10 4.354588e-11 ] [ 2.2535531e-10 2.3935835e-10 2.6950112e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.23e-05 -2.43e-05 -1.51e-05 ] [ 3.52e-05 7.8e-06 1.3e-06 ] [ -5.1e-06 -2.9e-05 -1.27e-05 ] [ 3.5e-06 -2.03e-05 1.17e-05 ] [ -7.1e-06 3.09e-05 1.69e-05 ] [ -4.1e-06 3.49e-05 -2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.572853864384e-14 -3.893289188544e-14 -2.419286697408e-14 ] [ 5.639661705216e-14 1.249697764224e-14 2.08282960704e-15 ] [ -8.17110076608e-15 -4.64631220032e-14 -2.034764308416e-14 ] [ 5.6076181728e-15 -3.252418540224e-14 1.874546646336e-14 ] [ -1.137545400768e-14 4.950725758272e-14 2.707678489152e-14 ] [ -6.568924145279999e-15 5.591596406592e-14 -3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949818916669e-18 } }