{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -34.5319741 -2.8251246 34.4970414 ] [ -0.6682365 0.8908905 0.6485168 ] [ -13.8385102 17.7304033 -29.0044661 ] [ 40.1160049 -18.3196786 -18.440187 ] [ 8.5292253 -2.1523646 12.1287884 ] [ -6.771328 7.4945519 -35.5153469 ] [ 7.1648186 -2.8186779 35.6856533 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.532632157309112e-08 -4.526348584966952e-09 5.52703532178497e-08 ] [ -1.070632897465219e-09 1.427363930792822e-09 1.039038455156029e-09 ] [ -2.217173750914233e-08 2.840723764461517e-08 -4.647027748420616e-08 ] [ 6.427292517067825e-08 -2.935136075349008e-08 -2.954443649458009e-08 ] [ 1.366532536919587e-08 -3.448468241557544e-09 1.943246121311024e-08 ] [ -1.084886341336842e-08 1.200759583755222e-08 -5.690185848278175e-08 ] [ 1.147930485319299e-08 -4.51601983294564e-09 5.717471941523437e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.3704565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.604419847323396e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.4855545 2.3798292 3.6674876 ] [ 1.2594107 4.6077848 3.1176877 ] [ 2.8456579 3.6798825 1.2758717 ] [ 4.8174786 2.1226402 2.3025134 ] [ 4.704243 2.6477078 5.0010818 ] [ 5.2593549 4.6521968 1.3140894 ] [ 6.4022194 3.9686067 3.5446835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4855545e-10 2.3798292e-10 3.6674876e-10 ] [ 1.2594107e-10 4.6077848e-10 3.1176877e-10 ] [ 2.8456579e-10 3.679882500000001e-10 1.2758717e-10 ] [ 4.8174786e-10 2.1226402e-10 2.3025134e-10 ] [ 4.704243e-10 2.6477078e-10 5.0010818e-10 ] [ 5.2593549e-10 4.6521968e-10 1.3140894e-10 ] [ 6.4022194e-10 3.9686067e-10 3.5446835e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.7e-06 -1.38e-05 -7.9e-06 ] [ -1.73e-05 -9.4e-06 5.1e-06 ] [ -1.31e-05 2.58e-05 1.83e-05 ] [ 1.6e-05 1.8e-05 -1.3e-06 ] [ -1.15e-05 7.1e-06 6.1e-06 ] [ 2.13e-05 -2.69e-05 -1.91e-05 ] [ 9.4e-06 -9e-07 -1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.53023011776e-15 -2.211003736704e-14 -1.265719530432e-14 ] [ -2.771765553984e-14 -1.506046023552e-14 8.17110076608e-15 ] [ -2.098851373248e-14 4.133615681664e-14 2.931983216064e-14 ] [ 2.56348259328e-14 2.88391791744e-14 -2.08282960704e-15 ] [ -1.84250311392e-14 1.137545400768e-14 9.77327738688e-15 ] [ 3.412636202304e-14 -4.309855109952001e-14 -3.060157345728e-14 ] [ 1.506046023552e-14 -1.44195895872e-15 -2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.273981 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.889120485194341e-18 } }