{ "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" [ [ 1.426259 1.696941 2.248909 ] [ 1.360678 2.530518 4.32015 ] [ 2.124458 3.992448 3.096339 ] [ 3.479806 2.793816 1.249034 ] [ 3.515691 1.341825 3.018021 ] [ 4.217135 3.723991 3.061085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.426259e-10 1.696941e-10 2.248909e-10 ] [ 1.360678e-10 2.530518e-10 4.32015e-10 ] [ 2.124458e-10 3.992448e-10 3.096339e-10 ] [ 3.479806e-10 2.793816e-10 1.249034e-10 ] [ 3.515691e-10 1.341825e-10 3.018021e-10 ] [ 4.217135e-10 3.723991e-10 3.061085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.2678371 -3.6192741 -12.0195603 ] [ -9.9623499 -12.8216976 22.293186 ] [ -7.5341858 21.8183266 -11.2696099 ] [ -3.7160167 -1.4740623 -18.9563857 ] [ 8.9970313 -12.1520061 9.0697181 ] [ 21.4833581 8.2487135 10.8826518 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.484871192700287e-08 -5.798716347286962e-09 -1.925745850495583e-08 ] [ -1.596144409800922e-08 -2.054262413368747e-08 3.571762141234587e-08 ] [ -1.207109634552335e-08 3.495681278349875e-08 -1.805590550731623e-08 ] [ -5.953715079242367e-09 -2.361708154662676e-09 -3.037147798340744e-08 ] [ 1.441483320546583e-08 -1.946966006923898e-08 1.45312902970666e-08 ] [ 3.442013408409431e-08 1.321589592137734e-08 1.743593028626704e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9233808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.888125613055601e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5315576 1.5274851 2.436139 ] [ 0.6907992 2.7104055 4.5790504 ] [ 2.0335243 4.2214934 2.9628968 ] [ 3.2649934 2.9455624 0.9233652 ] [ 4.0679741 1.0835304 2.8008396 ] [ 4.5351785 3.5910622 3.291247 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5315576e-10 1.5274851e-10 2.436139e-10 ] [ 6.907992e-11 2.7104055e-10 4.5790504e-10 ] [ 2.0335243e-10 4.2214934e-10 2.9628968e-10 ] [ 3.2649934e-10 2.9455624e-10 9.233652000000001e-11 ] [ 4.0679741e-10 1.0835304e-10 2.8008396e-10 ] [ 4.5351785e-10 3.5910622e-10 3.291247e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.69e-05 -5.85e-05 -1.55e-05 ] [ -1.64e-05 8.1e-06 -5.4e-06 ] [ 4.13e-05 -1.3e-06 4.31e-05 ] [ 2.57e-05 7.8e-06 2.4e-06 ] [ 8.8e-06 4.01e-05 1.57e-05 ] [ -2.6e-06 3.8e-06 -4.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.116384972352e-14 -9.37273323168e-14 -2.48337376224e-14 ] [ -2.627569658112e-14 1.297763062848e-14 -8.65175375232e-15 ] [ 6.616989443904001e-14 -2.08282960704e-15 6.905381235648e-14 ] [ 4.117593915456e-14 1.249697764224e-14 3.84522388992e-15 ] [ 1.409915426304e-14 6.424728249408e-14 2.515417294656e-14 ] [ -4.16565921408e-15 6.08827115904e-15 -6.488815314240001e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.562697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.13428957731943e-18 } }