{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.60665 2.271209 0.858315 ] [ 1.14021 1.706761 3.269891 ] [ 0.6855745 3.746661 2.498398 ] [ 2.590166 5.193842 1.980174 ] [ 3.090456 3.322533 2.927067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60665e-10 2.271209e-10 8.58315e-11 ] [ 1.14021e-10 1.706761e-10 3.269891e-10 ] [ 6.855745e-11 3.746661e-10 2.498398e-10 ] [ 2.590166e-10 5.193842e-10 1.980174e-10 ] [ 3.090456e-10 3.322533e-10 2.927067e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4917058 0.1533219 4.5880875 ] [ 3.4892661 2.2701098 -2.9563235 ] [ 6.1229209 1.9712664 -1.7533704 ] [ -3.6405323 -0.1176509 0.276769 ] [ -5.479949 -4.2770472 -0.1551626 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.877995435622772e-10 2.456487656604846e-10 7.350926587247474e-09 ] [ 5.590420615228307e-09 3.637116878174413e-09 -4.736552434245098e-09 ] [ 9.810000797810251e-09 3.158316965469297e-09 -2.809209085627233e-09 ] [ -5.832775786382277e-09 -1.884975229490706e-10 4.434328248155459e-10 ] [ -8.779846243311665e-09 -6.852585086355124e-09 -2.485978921906884e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.753728046368849 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.562719517028264e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6508285 2.1100791 0.9749562 ] [ 1.263566 2.0269874 3.4451611 ] [ 0.696413 3.8491768 2.1491721 ] [ 2.4185024 5.1735581 2.4680609 ] [ 3.0837467 3.0812046 2.4964947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6508285e-10 2.1100791e-10 9.749562e-11 ] [ 1.263566e-10 2.0269874e-10 3.4451611e-10 ] [ 6.964129999999999e-11 3.8491768e-10 2.1491721e-10 ] [ 2.4185024e-10 5.1735581e-10 2.4680609e-10 ] [ 3.0837467e-10 3.0812046e-10 2.4964947e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0037245 0.0100722 0.0206043 ] [ 0.0104727 0.0090551 -0.0246755 ] [ 0.0245109 -0.0168035 0.0048831 ] [ -0.000122 -0.0029221 -0.0050516 ] [ -0.0311371 0.0005982 0.0042396 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.967306873332999e-12 1.61374434929748e-11 3.301172801992619e-11 ] [ 1.67791152348918e-11 1.45078696385334e-11 -3.953450953226699e-11 ] [ 3.927079125831059e-11 -2.692217506941899e-11 7.823588721485398e-12 ] [ -1.95465549348e-13 -4.681720342211399e-12 -8.093555484314399e-12 ] [ -4.988713407052139e-11 9.584220624588e-13 6.792588057506399e-12 ] ] } "relaxed-potential-energy" { "source-value" -13.14035804636885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.105317462428606e-18 } }