{ "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" [ [ 1.797173 1.880519 2.621604 ] [ 2.732492 2.231734 4.550403 ] [ 1.229923 3.945183 3.396256 ] [ 3.798537 2.960677 2.455754 ] [ 3.373455 4.934702 3.584472 ] [ 4.913806 3.358248 4.34106 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.797173e-10 1.880519e-10 2.621604e-10 ] [ 2.732492e-10 2.231734e-10 4.550403000000001e-10 ] [ 1.229923e-10 3.945183e-10 3.396256e-10 ] [ 3.798537e-10 2.960677e-10 2.455754e-10 ] [ 3.373455e-10 4.934702e-10 3.584472e-10 ] [ 4.913806e-10 3.358248e-10 4.34106e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4838628 -1.9958964 -2.9650315 ] [ 1.3292941 -0.6049791 4.0404492 ] [ -0.9164097 1.4475201 0.4612831 ] [ 1.3749561 -0.8927369 -4.3353011 ] [ -0.7681625 2.1590884 0.1033353 ] [ 1.4641847 -0.112996 2.6952651 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.979586907434826e-09 -3.197778549618885e-09 -4.750504149235555e-09 ] [ 2.129763929187378e-09 -9.692833700926253e-10 6.473513245770064e-09 ] [ -1.468250196414342e-09 2.319182862358078e-09 7.390569983901485e-10 ] [ 2.202922518046347e-09 -1.430322189705468e-09 -6.945918066548523e-09 ] [ -1.23073199847528e-09 3.459240956720479e-09 1.655614017633542e-10 ] [ 2.345882494873062e-09 -1.810395494439168e-10 4.318290730078174e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.744752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.522587355469404e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0382701 1.9679907 2.5604329 ] [ 2.544864 2.1554191 4.9031051 ] [ 1.3158694 3.8998655 3.795696 ] [ 4.054068 3.0561548 2.0374653 ] [ 3.3316597 4.9880354 3.2727129 ] [ 4.5606548 3.2435974 4.3801368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0382701e-10 1.9679907e-10 2.5604329e-10 ] [ 2.544864e-10 2.1554191e-10 4.9031051e-10 ] [ 1.3158694e-10 3.899865500000001e-10 3.795696e-10 ] [ 4.054068e-10 3.0561548e-10 2.0374653e-10 ] [ 3.3316597e-10 4.9880354e-10 3.2727129e-10 ] [ 4.5606548e-10 3.2435974e-10 4.3801368e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 -1.24e-05 -2e-07 ] [ 1.02e-05 6.5e-06 -4e-07 ] [ -4.8e-06 3.2e-06 -1.07e-05 ] [ -8.1e-06 -5.2e-06 -1.18e-05 ] [ 3e-06 1.41e-05 1.42e-05 ] [ 1e-07 -6.3e-06 8.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 -1.986699009792e-14 -3.2043532416e-16 ] [ 1.634220153216e-14 1.04141480352e-14 -6.408706483200001e-16 ] [ -7.69044777984e-15 5.126965186560001e-15 -1.714328984256e-14 ] [ -1.297763062848e-14 -8.33131842816e-15 -1.890568412544e-14 ] [ 4.8065298624e-15 2.259069035328e-14 2.275090801536e-14 ] [ 1.6021766208e-16 -1.009371271104e-14 1.425937192512e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.817009 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.014817189318319e-18 } }