{ "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" [ [ 1.718051 2.8648 0.868268 ] [ 1.578738 2.123399 2.800363 ] [ 1.502934 5.103369 1.611601 ] [ 2.373634 3.880614 3.837999 ] [ 3.381701 1.593797 3.943141 ] [ 3.548939 3.24359 2.048233 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.718051e-10 2.8648e-10 8.682680000000001e-11 ] [ 1.578738e-10 2.123399e-10 2.800363e-10 ] [ 1.502934e-10 5.103369e-10 1.611601e-10 ] [ 2.373634e-10 3.880614e-10 3.837999e-10 ] [ 3.381701e-10 1.593797e-10 3.943141e-10 ] [ 3.548939e-10 3.24359e-10 2.048233e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5361228 2.8400206 -9.6051346 ] [ -20.4614585 -12.5707015 9.5024238 ] [ -2.5550386 2.9678052 -0.8060732 ] [ -4.5649305 12.231142 5.5938847 ] [ 8.4501633 -11.9427601 6.0004104 ] [ 18.5951415 6.4744939 -10.6855111 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.589634160378343e-10 4.550214607910389e-09 -1.538912209575716e-08 ] [ -3.278287043616943e-08 -2.014048405035549e-08 1.522456125329349e-08 ] [ -4.093623110161563e-09 4.754948106528668e-09 -1.291471635693442e-09 ] [ -7.313824922676854e-09 1.959644975808496e-08 8.962391285790822e-09 ] [ 1.353865408120218e-08 -1.913441102004307e-08 9.613717258085177e-09 ] [ 2.979270097176785e-08 1.037328275809221e-08 -1.712007606571889e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.8446145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.159751467888682e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9443415 2.9676041 1.0209535 ] [ 1.3962918 2.1248752 3.2281929 ] [ 1.6126278 5.3326638 1.7322271 ] [ 1.0196285 4.4207731 4.1206152 ] [ 3.7690397 1.5258827 3.6979995 ] [ 4.3620677 2.4377701 1.3096167 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9443415e-10 2.9676041e-10 1.0209535e-10 ] [ 1.3962918e-10 2.1248752e-10 3.2281929e-10 ] [ 1.6126278e-10 5.3326638e-10 1.7322271e-10 ] [ 1.0196285e-10 4.4207731e-10 4.1206152e-10 ] [ 3.7690397e-10 1.5258827e-10 3.6979995e-10 ] [ 4.3620677e-10 2.4377701e-10 1.3096167e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.25e-05 9e-07 7.7e-06 ] [ 1.32e-05 -6.4e-06 1.4e-06 ] [ 6.6e-06 5.7e-06 -2.8e-06 ] [ -1.57e-05 1.05e-05 -3.5e-06 ] [ 4.8e-06 -1.12e-05 -4.4e-06 ] [ 3.5e-06 6e-07 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.002720776e-14 1.44195895872e-15 1.233675998016e-14 ] [ 2.114873139456e-14 -1.025393037312e-14 2.24304726912e-15 ] [ 1.057436569728e-14 9.13240673856e-15 -4.48609453824e-15 ] [ -2.515417294656e-14 1.68228545184e-14 -5.6076181728e-15 ] [ 7.69044777984e-15 -1.794437815296e-14 -7.04957713152e-15 ] [ 5.6076181728e-15 9.6130597248e-16 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949818916669e-18 } }