{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.211401 -1.7295273 -0.2330145 ] [ 2.7232058 6.1988049 -1.788475 ] [ -0.4519351 0.595912 -3.4398323 ] [ -6.7324318 -6.680745 3.2257206 ] [ 3.9381652 -4.3384506 -1.7491685 ] [ 5.4411277 6.6457057 -5.4458421 ] [ -2.7067307 -0.6916997 9.4306117 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.543054981413741e-09 -2.771008205095348e-09 -3.733303842074016e-10 ] [ 4.363056666386961e-09 9.931580287680483e-09 -2.86545283188528e-09 ] [ -7.240798513389101e-10 9.547562744541695e-10 -5.511218890532692e-09 ] [ -1.078654483109046e-08 -1.070373344852649e-08 5.168174130552949e-09 ] [ 6.309636212288156e-09 -6.950964121815732e-09 -2.802476876539805e-09 ] [ 8.717647591727275e-09 1.06475943012573e-08 -8.725200893188376e-09 ] [ -4.336660646341619e-09 -1.108225087954374e-09 1.510950558558294e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.729393 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.199691248237518e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0766504 1.6509441 4.1008241 ] [ 2.0177887 5.0338303 2.8363311 ] [ 2.8332066 3.3210127 0.988769 ] [ 0.7738475 2.8700894 2.3955916 ] [ 3.9571642 1.6272952 2.5025303 ] [ 4.4833081 4.0712713 2.9191586 ] [ 2.9043615 3.838794 4.8879903 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0766504e-10 1.6509441e-10 4.1008241e-10 ] [ 2.0177887e-10 5.0338303e-10 2.8363311e-10 ] [ 2.8332066e-10 3.3210127e-10 9.88769e-11 ] [ 7.738475000000001e-11 2.8700894e-10 2.3955916e-10 ] [ 3.9571642e-10 1.6272952e-10 2.5025303e-10 ] [ 4.4833081e-10 4.071271300000001e-10 2.9191586e-10 ] [ 2.9043615e-10 3.838794e-10 4.8879903e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.9e-06 -6.2e-06 -2.06e-05 ] [ 3.12e-05 3.5e-06 9.2e-06 ] [ -2.49e-05 -1.82e-05 2.45e-05 ] [ 2e-06 -1.02e-05 -1.65e-05 ] [ -1.3e-05 3.3e-06 5.6e-06 ] [ 5.1e-06 2.04e-05 -3.5e-06 ] [ -8.4e-06 7.5e-06 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.265719530432e-14 -9.93349504896e-15 -3.300483838848e-14 ] [ 4.998791056896e-14 5.6076181728e-15 1.474002491136e-14 ] [ -3.989419785791999e-14 -2.915961449856e-14 3.92533272096e-14 ] [ 3.2043532416e-15 -1.634220153216e-14 -2.64359142432e-14 ] [ -2.08282960704e-14 5.28718284864e-15 8.972189076479999e-15 ] [ 8.17110076608e-15 3.268440306432e-14 -5.6076181728e-15 ] [ -1.345828361472e-14 1.2016324656e-14 2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }