{ "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" [ [ 2.579635 2.597673 1.417691 ] [ 1.984364 4.733105 2.421677 ] [ 4.865502 3.038852 1.5778 ] [ 3.649468 2.375686 3.336275 ] [ 3.826511 5.11075 1.269058 ] [ 4.176974 4.617806 3.508105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.579635e-10 2.597673e-10 1.417691e-10 ] [ 1.984364e-10 4.733105e-10 2.421677e-10 ] [ 4.865502e-10 3.038852e-10 1.5778e-10 ] [ 3.649468e-10 2.375686e-10 3.336275e-10 ] [ 3.826511e-10 5.11075e-10 1.269058e-10 ] [ 4.176974000000001e-10 4.617806e-10 3.508105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3603747 -2.4456867 -5.6863656 ] [ -5.3620377 -0.4385906 2.2138305 ] [ 5.8832271 -0.6149142 -3.8743268 ] [ -0.1525155 -4.2084554 7.7756891 ] [ 3.6877414 4.4621555 -5.9189142 ] [ 2.3039594 3.2454914 5.4900871 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.019044364386781e-08 -3.918422052541504e-09 -9.110562021641365e-09 ] [ -8.590931442788204e-09 -7.026996054226445e-10 3.546947469513974e-09 ] [ 9.425968914476984e-09 -9.852011550379353e-10 -6.207355820298877e-09 ] [ -2.443567684096224e-10 -6.742688851559513e-09 1.245802728662939e-08 ] [ 5.908413054636261e-09 7.149161220474134e-09 -9.483145951761134e-09 ] [ 3.691349885952396e-09 5.199850444087462e-09 8.796089197775673e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.5040424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.522715453637192e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4095302 2.4634898 1.470387 ] [ 1.9375703 4.7407261 2.3220162 ] [ 4.8668386 3.1149412 1.4827143 ] [ 3.7008294 2.0944262 3.6096144 ] [ 4.0153156 5.4706219 1.0850088 ] [ 4.1523699 4.5896669 3.5608653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4095302e-10 2.4634898e-10 1.470387e-10 ] [ 1.9375703e-10 4.7407261e-10 2.3220162e-10 ] [ 4.8668386e-10 3.1149412e-10 1.4827143e-10 ] [ 3.7008294e-10 2.0944262e-10 3.6096144e-10 ] [ 4.0153156e-10 5.4706219e-10 1.0850088e-10 ] [ 4.1523699e-10 4.5896669e-10 3.5608653e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.4e-06 -1.43e-05 -2.84e-05 ] [ -1.54e-05 2.8e-05 1.39e-05 ] [ -1.21e-05 9.5e-06 -8.2e-06 ] [ 1.75e-05 -2.4e-06 2.84e-05 ] [ 1.3e-05 -7.5e-06 -1.09e-05 ] [ -8.4e-06 -1.32e-05 5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.65175375232e-15 -2.291112567744e-14 -4.550181603071999e-14 ] [ -2.467351996032e-14 4.48609453824e-14 2.227025502912e-14 ] [ -1.938633711168e-14 1.52206778976e-14 -1.313784829056e-14 ] [ 2.8038090864e-14 -3.84522388992e-15 4.550181603071999e-14 ] [ 2.08282960704e-14 -1.2016324656e-14 -1.746372516672e-14 ] [ -1.345828361472e-14 -2.114873139456e-14 8.33131842816e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.891841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.225718287007089e-18 } }