{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2957364 5.4277297 1.6624574 ] [ 4.7217356 -3.6371554 -1.6098466 ] [ -0.5883173 1.0503656 0.165472 ] [ 0.1483179 -2.5146077 -1.5617258 ] [ 2.6806216 -0.2664207 0.4157835 ] [ -0.6399308 0.4011776 0.9560844 ] [ -2.0266906 -0.4610892 -0.0282248 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.882528485903277e-09 8.69618170100783e-09 2.663550401300391e-09 ] [ 7.565054450245969e-09 -5.827365396106923e-09 -2.579258606844344e-09 ] [ -9.425882314379682e-10 1.68287122147739e-09 2.65115371981248e-10 ] [ 2.376314737839486e-10 -4.028845700616481e-09 -2.502160585474957e-09 ] [ 4.294829292115694e-09 -4.268530203539237e-10 6.661586085027388e-10 ] [ -1.025282175136927e-09 6.427573768041983e-10 1.531816085811909e-09 ] [ -3.24711632366744e-09 -7.387463424297527e-10 -4.522111505932319e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -20.034178 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.209829187299685e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9361953 4.0880639 3.2347831 ] [ 5.4375225 2.1819247 1.4878942 ] [ 3.5600773 0.8243993 0.6475721 ] [ 3.3105767 1.6167812 2.967859 ] [ 5.1563498 3.1004263 3.8108128 ] [ 4.9389701 4.6202141 1.8412145 ] [ 3.0797133 3.2308109 0.8761513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9361953e-10 4.0880639e-10 3.2347831e-10 ] [ 5.4375225e-10 2.1819247e-10 1.4878942e-10 ] [ 3.5600773e-10 8.243993e-11 6.475721e-11 ] [ 3.3105767e-10 1.6167812e-10 2.967859e-10 ] [ 5.156349800000001e-10 3.1004263e-10 3.8108128e-10 ] [ 4.938970099999999e-10 4.6202141e-10 1.8412145e-10 ] [ 3.0797133e-10 3.2308109e-10 8.761513e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-06 -3.3e-06 2.25e-05 ] [ 1.29e-05 3.63e-05 -4e-07 ] [ -1.49e-05 -2.77e-05 2.06e-05 ] [ -1.02e-05 7.4e-06 -1.81e-05 ] [ -1.27e-05 -6.8e-06 -2.15e-05 ] [ 1.69e-05 4.1e-06 1.3e-05 ] [ 2.9e-06 -1.02e-05 -1.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.1711008334e-15 -5.2871828922e-15 3.6048974265e-14 ] [ 2.06680785786e-14 5.81590118142e-14 -6.408706536e-16 ] [ -2.38724318466e-14 -4.438029276179999e-14 3.300483866039999e-14 ] [ -1.63422016668e-14 1.18561070916e-14 -2.899939707539999e-14 ] [ -2.03476432518e-14 -1.08948011112e-14 -3.4446797631e-14 ] [ 2.70767851146e-14 6.568924199399999e-15 2.082829624199999e-14 ] [ 4.6463122386e-15 -1.63422016668e-14 -2.579504380739999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.073267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.536527262344328e-18 } }