{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4737094 4.0051254 1.0116665 ] [ 0.5727767 -0.6260328 -0.2531711 ] [ -1.7806406 -4.3132142 -0.2652433 ] [ -0.3949877 0.6366458 -0.4294693 ] [ 2.1716233 0.0795926 -3.828122 ] [ 4.4798029 2.1856194 0.8035961 ] [ -0.5748652 -1.9677362 2.960743 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.167672608933196e-09 6.416918279252248e-09 1.620868414346563e-09 ] [ 9.176894376789754e-10 -1.003015116013962e-09 -4.056248174822188e-10 ] [ -2.852900739367284e-09 -6.910530951742576e-09 -4.249666140838407e-10 ] [ -6.328400584435642e-10 1.020019016490513e-09 -6.880856718113415e-10 ] [ 3.479324080444545e-09 1.275214029086861e-10 -6.133327569970138e-09 ] [ 7.17743547217204e-09 3.501748304646924e-09 1.287502883986059e-09 ] [ -9.210355835515162e-10 -3.152660935541833e-09 4.743633214797254e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.246446 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.083620581468968e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7251101 5.3505781 2.9449094 ] [ 5.9701974 2.9112135 1.1330793 ] [ 2.9924315 2.9001861 2.5110508 ] [ 5.3066007 2.7019536 3.3912789 ] [ 4.2631997 4.5450572 1.151262 ] [ 5.1863281 5.1827673 3.3672606 ] [ 3.5646725 3.8675542 4.747314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7251101e-10 5.3505781e-10 2.9449094e-10 ] [ 5.970197400000001e-10 2.9112135e-10 1.1330793e-10 ] [ 2.9924315e-10 2.9001861e-10 2.5110508e-10 ] [ 5.3066007e-10 2.7019536e-10 3.3912789e-10 ] [ 4.263199700000001e-10 4.5450572e-10 1.151262e-10 ] [ 5.1863281e-10 5.1827673e-10 3.3672606e-10 ] [ 3.5646725e-10 3.8675542e-10 4.747314e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 5.1e-06 2.99e-05 ] [ -2.72e-05 1.2e-05 2.16e-05 ] [ 1.42e-05 -1.49e-05 -4e-06 ] [ 2.7e-06 2.5e-06 -7.2e-06 ] [ 2.24e-05 -6.3e-06 2e-06 ] [ 1.12e-05 7.7e-06 -3.64e-05 ] [ -2.77e-05 -6.1e-06 -5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.04957713152e-15 8.17110076608e-15 4.790508096192e-14 ] [ -4.357920408576e-14 1.92261194496e-14 3.460701500928e-14 ] [ 2.275090801536e-14 -2.387243164992e-14 -6.4087064832e-15 ] [ 4.32587687616e-15 4.005441552e-15 -1.153567166976e-14 ] [ 3.588875630592e-14 -1.009371271104e-14 3.2043532416e-15 ] [ 1.794437815296e-14 1.233675998016e-14 -5.831922899712e-14 ] [ -4.438029239616e-14 -9.77327738688e-15 -9.45284206272e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.011725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.366449455767888e-18 } }