{ "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" [ [ 0.0409962 0.6822116 1.595736 ] [ 0.3790876 1.575629 0.6188876 ] [ 0.3154214 2.976467 2.437822 ] [ 1.63698 0.1180447 0.631717 ] [ 1.584423 0.2949968 2.813326 ] [ 2.305753 1.803926 1.00695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.099619999999999e-12 6.822116000000001e-11 1.595736e-10 ] [ 3.790876e-11 1.575629e-10 6.188876e-11 ] [ 3.154214e-11 2.976467e-10 2.437822e-10 ] [ 1.63698e-10 1.180447e-11 6.31717e-11 ] [ 1.584423e-10 2.949968e-11 2.813326e-10 ] [ 2.305753e-10 1.803926e-10 1.00695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2270.7211075 -5812.7331381 6391.1862198 ] [ 2132.1512801 5881.8715706 -6387.5963589 ] [ 2.7283383 -8.3752479 -4.8705198 ] [ 39.3374664 -171.1548477 -50.491656 ] [ 22.3000698 -0.5637731 14.8210818 ] [ 74.203953 110.9554362 36.9512331 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.638096270793584e-06 -9.313025136813238e-06 1.023980914054269e-05 ] [ 3.416082932985012e-06 9.423797116963496e-06 -1.023405754933679e-05 ] [ 4.371279837893216e-09 -1.34186263787843e-08 -7.803432954703493e-09 ] [ 6.302556898758554e-08 -2.742202955215247e-07 -8.089655078867604e-08 ] [ 3.572865047576813e-08 -9.032640802559406e-10 2.374599075492438e-08 ] [ 1.18887838667542e-07 1.77770205830306e-07 5.920240178255112e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 952.84849 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.526631573842583e-16 } "relaxed-configuration-positions" { "source-value" [ [ -0.2967139 0.5012698 1.8285612 ] [ 0.3959022 1.8807064 0.2468174 ] [ 0.5688273 2.4607442 2.3724084 ] [ 1.5187271 0.0230133 0.6624058 ] [ 1.6916525 0.6030507 2.7879943 ] [ 2.3842661 1.9824906 1.2062516 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.967139e-11 5.012698e-11 1.8285612e-10 ] [ 3.959022e-11 1.8807064e-10 2.468174e-11 ] [ 5.688273000000001e-11 2.4607442e-10 2.3724084e-10 ] [ 1.5187271e-10 2.30133e-12 6.624058000000001e-11 ] [ 1.6916525e-10 6.030507000000001e-11 2.7879943e-10 ] [ 2.3842661e-10 1.9824906e-10 1.2062516e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.79e-05 -1.23e-05 -3.27e-05 ] [ -0.0001006 2.2e-05 7.57e-05 ] [ -7.38e-05 2.54e-05 -5.44e-05 ] [ 2.52e-05 1.8e-05 8e-07 ] [ 4.21e-05 2.73e-05 -1.52e-05 ] [ 0.000135 -8.03e-05 2.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.470072772032e-14 -1.970677243584e-14 -5.239117550016001e-14 ] [ -1.6117896805248e-13 3.52478856576e-14 1.2128477019456e-13 ] [ -1.1824063461504e-13 4.069528616832e-14 -8.715840817152e-14 ] [ 4.037485084416e-14 2.88391791744e-14 1.28174129664e-15 ] [ 6.745163573568001e-14 4.373942174784e-14 -2.435308463616e-14 ] [ 2.16293843808e-13 -1.2865478265024e-13 4.149637447872e-14 ] ] } "relaxed-potential-energy" { "source-value" -40.305538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.457659067236599e-18 } }