{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.1931753 -4.2881892 -30.751994 ] [ -19.5032418 -9.8216598 -2.5945531 ] [ 10.5266011 2.3158896 22.317247 ] [ -14.4100495 15.423336 9.0121901 ] [ 16.5016716 -6.0759086 -5.39339 ] [ 8.2841108 -26.2294238 16.9023615 ] [ 7.7940831 28.6759557 -9.4918616 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.472909053657603e-08 -6.870436481807055e-09 -4.927012582978188e-08 ] [ -3.124763804176931e-08 -1.57360337090112e-08 -4.156932318244164e-09 ] [ 1.686547417890756e-08 3.710464173473864e-09 3.575617138401894e-08 ] [ -2.308744441347073e-08 2.471090835394299e-08 1.443912028042521e-08 ] [ 2.643859244163933e-08 -9.734678709037659e-09 -8.641163364856512e-09 ] [ 1.327260864787679e-08 -4.202416958941509e-08 2.708056843161002e-08 ] [ 1.248749772339239e-08 4.59439458016365e-08 -1.520763874338928e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.439282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.832775017913827e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8619087 2.8912055 0.9660644 ] [ 1.3535769 2.1080716 2.8360155 ] [ 3.4927887 3.2883893 5.3052341 ] [ 1.7736121 4.3320019 3.9597528 ] [ 4.6974348 1.6935762 1.9915062 ] [ 3.425237 1.2509684 4.0016393 ] [ 2.8692549 5.1039761 1.9451477 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8619087e-10 2.8912055e-10 9.660644e-11 ] [ 1.3535769e-10 2.1080716e-10 2.8360155e-10 ] [ 3.4927887e-10 3.2883893e-10 5.3052341e-10 ] [ 1.7736121e-10 4.3320019e-10 3.9597528e-10 ] [ 4.6974348e-10 1.6935762e-10 1.9915062e-10 ] [ 3.425237e-10 1.2509684e-10 4.0016393e-10 ] [ 2.8692549e-10 5.1039761e-10 1.9451477e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.8e-06 1.42e-05 -1.23e-05 ] [ -2.03e-05 -1.55e-05 7.8e-06 ] [ 9.6e-06 1.67e-05 -9.5e-06 ] [ -3.1e-05 3.28e-05 1.53e-05 ] [ 2.64e-05 -1.81e-05 1.4e-05 ] [ 1.72e-05 -7.36e-05 5.1e-06 ] [ 3.9e-06 4.36e-05 -2.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.292624400640001e-15 2.275090801536e-14 -1.970677243584e-14 ] [ -3.252418540224e-14 -2.48337376224e-14 1.249697764224e-14 ] [ 1.538089555968e-14 2.675634956736e-14 -1.52206778976e-14 ] [ -4.96674752448e-14 5.255139316223999e-14 2.451330229824e-14 ] [ 4.229746278912e-14 -2.899939683648e-14 2.24304726912e-14 ] [ 2.755743787776e-14 -1.1792019929088e-13 8.17110076608e-15 ] [ 6.24848882112e-15 6.985490066688e-14 -3.252418540224e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.457688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.797029956682071e-18 } }