{ "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" [ [ 0.2482594 0.208506 0.7144033 ] [ 0.1842271 0.5542422 2.415306 ] [ 0.3347056 2.949491 0.3757933 ] [ 2.042519 0.2544893 1.784175 ] [ 2.203059 1.053322 2.694572 ] [ 1.978392 2.822156 1.26577 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.482594e-11 2.08506e-11 7.144033e-11 ] [ 1.842271e-11 5.542422e-11 2.415306e-10 ] [ 3.347056e-11 2.949491e-10 3.757933e-11 ] [ 2.042519e-10 2.544893e-11 1.784175e-10 ] [ 2.203059e-10 1.053322e-10 2.694572e-10 ] [ 1.978392e-10 2.822156e-10 1.26577e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.8804538 -5.6918162 -22.1663214 ] [ -19.0638603 -0.9069973 17.0887769 ] [ -6.0406657 0.2329023 -3.7168537 ] [ 6.5573621 -60.4076026 -61.5029858 ] [ 22.2030951 56.9819723 70.4624 ] [ 9.2245225 9.7915415 -0.1650161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.063676194365452e-08 -9.119294845530698e-09 -3.551436191621873e-08 ] [ -3.054367127485728e-08 -1.453169869188724e-09 2.73792388272471e-08 ] [ -9.678213358608467e-09 3.731506199905479e-10 -5.955056101073978e-09 ] [ 1.050605225073999e-08 -9.67836486042973e-08 -9.85386459581544e-08 ] [ 3.557327987861904e-08 9.129518382613322e-08 1.128932099254579e-07 ] [ 1.477931428754357e-08 1.568777887289296e-08 -2.643849374755949e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 29.042923 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.65318922302946e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0574674 0.3244017 0.6178481 ] [ -0.1448368 0.731489 3.0037473 ] [ 0.4745435 2.5570155 -0.0142048 ] [ 2.3642177 -0.2833629 1.0746741 ] [ 2.2209852 1.276257 2.9310755 ] [ 2.0187851 3.2364061 1.6368795 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.746740000000001e-12 3.244017e-11 6.178481e-11 ] [ -1.448368e-11 7.31489e-11 3.0037473e-10 ] [ 4.745435000000001e-11 2.5570155e-10 -1.42048e-12 ] [ 2.3642177e-10 -2.833629e-11 1.0746741e-10 ] [ 2.2209852e-10 1.276257e-10 2.9310755e-10 ] [ 2.0187851e-10 3.2364061e-10 1.6368795e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.01e-05 -1e-06 1.58e-05 ] [ 1.08e-05 -0.0 -4.3e-06 ] [ 1.13e-05 -7.1e-06 9.5e-06 ] [ -8.3e-06 2.6e-06 -3.1e-06 ] [ -2.45e-05 -2.9e-06 -1.96e-05 ] [ 6e-07 8.4e-06 1.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.618198387008e-14 -1.6021766208e-15 2.531439060864e-14 ] [ 1.730350750464e-14 0.0 -6.889359469440001e-15 ] [ 1.810459581504e-14 -1.137545400768e-14 1.52206778976e-14 ] [ -1.329806595264e-14 4.16565921408e-15 -4.96674752448e-15 ] [ -3.92533272096e-14 -4.646312200320001e-15 -3.140266176767999e-14 ] [ 9.6130597248e-16 1.345828361472e-14 2.72370025536e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }