{ "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" [ [ -0.444396 -3.8529882 2.0204799 ] [ 1.4148143 0.5336253 -14.3486448 ] [ -16.9993727 -5.3568211 9.3542866 ] [ 5.9201525 14.5605763 6.6882505 ] [ -4.0106416 -17.969763 -20.9177317 ] [ 5.5235194 6.152121 -12.5960235 ] [ 8.5959241 5.9332495 29.7993829 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.120008815770368e-10 -6.173167614258274e-09 3.237165658576322e-09 ] [ 2.266782394233517e-09 8.549619799273862e-10 -2.298906323872349e-08 ] [ -2.723599750820577e-08 -8.58257352822814e-09 1.498721929478272e-08 ] [ 9.485129927070672e-09 2.332861493323457e-08 1.071575858515391e-08 ] [ -6.425756205927905e-09 -2.879073415991687e-08 -3.351390068990704e-08 ] [ 8.849653647215243e-09 9.856784434532719e-09 -2.018105436674739e-08 ] [ 1.377218862719128e-08 9.506113634273288e-09 4.774387459664731e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.167687 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.629043039901209e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1607337 1.8153421 3.7206306 ] [ 1.9233308 3.7125097 0.6619281 ] [ 1.0198926 3.9498336 3.0061752 ] [ 3.0243082 5.3174894 3.6988914 ] [ 3.5961025 1.8943818 1.5313276 ] [ 4.252071 4.5546114 1.5148086 ] [ 4.4324043 3.1135291 3.8382005 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1607337e-10 1.8153421e-10 3.7206306e-10 ] [ 1.9233308e-10 3.7125097e-10 6.619281e-11 ] [ 1.0198926e-10 3.9498336e-10 3.0061752e-10 ] [ 3.0243082e-10 5.317489400000001e-10 3.6988914e-10 ] [ 3.5961025e-10 1.8943818e-10 1.5313276e-10 ] [ 4.252071e-10 4.5546114e-10 1.5148086e-10 ] [ 4.4324043e-10 3.1135291e-10 3.8382005e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2e-06 1.78e-05 3.1e-06 ] [ 1.1e-06 -2.17e-05 1.27e-05 ] [ 2.08e-05 -4.5e-06 -1.9e-06 ] [ -2.9e-06 -1.18e-05 -1.83e-05 ] [ -1.18e-05 2.29e-05 -1.46e-05 ] [ 2.1e-06 2.9e-06 2.29e-05 ] [ -1.16e-05 -5.6e-06 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.52478856576e-15 2.851874385024e-14 4.96674752448e-15 ] [ 1.76239428288e-15 -3.476723267136e-14 2.034764308416e-14 ] [ 3.332527371264e-14 -7.2097947936e-15 -3.04413557952e-15 ] [ -4.646312200320001e-15 -1.890568412544e-14 -2.931983216064e-14 ] [ -1.890568412544e-14 3.668984461632e-14 -2.339177866368e-14 ] [ 3.36457090368e-15 4.646312200320001e-15 3.668984461632e-14 ] [ -1.858524880128e-14 -8.972189076479999e-15 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.044153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.852297980353818e-18 } }