{ "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" [ [ 1.247505 0.2174365 0.42208 ] [ 0.0506875 0.0915851 2.362651 ] [ 1.429891 2.603248 1.463699 ] [ 0.6097234 2.164425 2.912732 ] [ 2.744149 0.6540612 0.6213704 ] [ 2.652131 2.68783 0.0915898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.247505e-10 2.174365e-11 4.2208e-11 ] [ 5.068750000000001e-12 9.15851e-12 2.362651e-10 ] [ 1.429891e-10 2.603248e-10 1.463699e-10 ] [ 6.097234e-11 2.164425e-10 2.912732e-10 ] [ 2.744149e-10 6.540612e-11 6.213704e-11 ] [ 2.652131e-10 2.68783e-10 9.15898e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.3060303 -13.4713358 -4.1604885 ] [ -1.3639713 -2.7367618 0.8865374 ] [ -2.6580415 13.2647318 -1.5071955 ] [ -5.3602482 -2.7018608 11.0938646 ] [ 22.8929642 -2.5000763 1.8246594 ] [ 8.7953271 8.1453028 -8.1373774 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.573820024951641e-08 -2.158345926970607e-08 -6.665837405807261e-09 ] [ -2.185322928302183e-09 -4.384775772658526e-09 1.420389495744818e-09 ] [ -4.258651948416164e-09 2.12524431711423e-08 -2.414793393074966e-09 ] [ -8.588064347725282e-09 -4.328858206415985e-09 1.777433049644074e-08 ] [ 3.667857202205138e-08 -4.005563798076167e-09 2.923426631602955e-09 ] [ 1.409166745190867e-08 1.305021371549678e-08 -1.303751582490629e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.5229184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.042160876666143e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7994428 0.4262052 0.4309498 ] [ 0.3379478 -0.014793 2.6275798 ] [ 0.9118679 2.7211601 0.9534366 ] [ 0.4470137 2.2109204 3.1343102 ] [ 3.0643945 0.4246834 0.110585 ] [ 3.1734203 2.6504097 0.6172608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.994428e-11 4.262052e-11 4.309498e-11 ] [ 3.379478e-11 -1.4793e-12 2.6275798e-10 ] [ 9.118678999999999e-11 2.7211601e-10 9.534366e-11 ] [ 4.470137e-11 2.2109204e-10 3.1343102e-10 ] [ 3.0643945e-10 4.246834e-11 1.10585e-11 ] [ 3.1734203e-10 2.6504097e-10 6.172608e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 -7.3e-06 2.23e-05 ] [ 1.6e-06 9.7e-06 2e-07 ] [ 7.3e-06 -3.5e-06 -1.7e-06 ] [ -1.28e-05 -4.1e-06 -8.4e-06 ] [ -6.1e-06 2.5e-06 -2.45e-05 ] [ 6.9e-06 2.7e-06 1.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-15 -1.169588933184e-14 3.572853864384e-14 ] [ 2.56348259328e-15 1.554111322176e-14 3.2043532416e-16 ] [ 1.169588933184e-14 -5.6076181728e-15 -2.72370025536e-15 ] [ -2.050786074624e-14 -6.568924145279999e-15 -1.345828361472e-14 ] [ -9.77327738688e-15 4.005441552e-15 -3.92533272096e-14 ] [ 1.105501868352e-14 4.32587687616e-15 1.938633711168e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.423131 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.830187342453573e-18 } }