{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.722401 -1.9221155 1.4084239 ] [ 0.1262324 0.279833 -13.9349738 ] [ -14.2139974 -4.4256855 8.7618154 ] [ 6.4837092 11.7341952 3.535786 ] [ -3.269641 -18.1613198 -20.3673913 ] [ 2.2640088 7.3232017 -8.4699336 ] [ 9.3320889 5.1718908 29.0662733 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.157413993042541e-09 -3.079568516577302e-09 2.256543844755958e-09 ] [ 2.022466000674739e-10 4.483418903283264e-10 -2.232628923382054e-08 ] [ -2.277333432239198e-08 -7.090729839113558e-09 1.40379757896454e-08 ] [ 1.038804729630587e-08 1.880025321334358e-08 5.664953665351948e-09 ] [ -5.238542368609132e-09 -2.909764198643214e-08 -3.263215816754532e-08 ] [ 3.627341968645464e-09 1.173306255314282e-08 -1.357032959364838e-08 ] [ 1.495165465880719e-08 8.28628252509061e-09 4.656930353504326e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.335661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.655955441471435e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1984573 1.9048178 3.6679398 ] [ 1.9574117 3.6991054 0.7676061 ] [ 0.987684 3.956389 3.0225711 ] [ 3.0127708 5.2252963 3.6392703 ] [ 3.6014807 1.9394299 1.5575457 ] [ 4.2321731 4.5111775 1.5353457 ] [ 4.4188654 3.1214813 3.7816833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1984573e-10 1.9048178e-10 3.6679398e-10 ] [ 1.9574117e-10 3.6991054e-10 7.676061e-11 ] [ 9.87684e-11 3.956389000000001e-10 3.0225711e-10 ] [ 3.0127708e-10 5.225296300000001e-10 3.6392703e-10 ] [ 3.6014807e-10 1.9394299e-10 1.5575457e-10 ] [ 4.2321731e-10 4.5111775e-10 1.5353457e-10 ] [ 4.4188654e-10 3.1214813e-10 3.7816833e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.19e-05 -2.96e-05 -6.1e-06 ] [ -1e-05 3e-07 3.8e-06 ] [ -1.69e-05 6.9e-06 -2.51e-05 ] [ -7.5e-06 3.1e-05 3.57e-05 ] [ -6.7e-06 2.59e-05 3.17e-05 ] [ 1.66e-05 -2.12e-05 -3.11e-05 ] [ 1.25e-05 -1.31e-05 -8.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.906590178752e-14 -4.742442797568e-14 -9.77327738688e-15 ] [ -1.6021766208e-14 4.8065298624e-16 6.08827115904e-15 ] [ -2.707678489152e-14 1.105501868352e-14 -4.021463318208e-14 ] [ -1.2016324656e-14 4.96674752448e-14 5.719770536256001e-14 ] [ -1.073458335936e-14 4.149637447872e-14 5.078899887936e-14 ] [ 2.659613190528e-14 -3.396614436096001e-14 -4.982769290688e-14 ] [ 2.002720776e-14 -2.098851373248e-14 -1.425937192512e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }