{ "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" [ [ 0.1226517 0.1643142 2.08525 ] [ 0.897513 2.739377 0.422181 ] [ 0.4967103 2.508008 2.34433 ] [ 2.384655 1.344784 0.6822557 ] [ 2.452846 2.947826 1.504929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.226517e-11 1.643142e-11 2.08525e-10 ] [ 8.97513e-11 2.739377e-10 4.22181e-11 ] [ 4.967103e-11 2.508008e-10 2.34433e-10 ] [ 2.384655e-10 1.344784e-10 6.822557000000001e-11 ] [ 2.452846e-10 2.947826e-10 1.504929e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.166533 0.3264286 -1.1066065 ] [ -12.4218033 3.8254975 -15.2889066 ] [ -6.7162293 -0.6251952 11.0489071 ] [ 4.0403827 -19.1648104 -6.1640748 ] [ 13.9311169 15.6380795 11.5106807 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.868991899991686e-09 5.22996271280475e-10 -1.772979062725315e-09 ] [ -1.990192283543629e-08 6.129122657428849e-09 -2.449552871211482e-08 ] [ -1.076058556439195e-08 -1.00167313287638e-09 1.770230064101113e-08 ] [ 6.473406701024781e-09 -3.07054111649447e-08 -9.875936533422436e-09 ] [ 2.232010979881177e-08 2.505496536911175e-08 1.844214350703378e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5341159 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.26445449097755e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.0277133 0.4320814 1.4119941 ] [ 0.5733837 2.5378652 0.2177241 ] [ 0.839577 2.3159526 2.7979157 ] [ 2.3996655 0.9687681 1.2077266 ] [ 2.5694631 3.4496419 1.4035853 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.77133e-12 4.320814e-11 1.4119941e-10 ] [ 5.733837000000001e-11 2.5378652e-10 2.177241e-11 ] [ 8.39577e-11 2.3159526e-10 2.7979157e-10 ] [ 2.3996655e-10 9.687681e-11 1.2077266e-10 ] [ 2.5694631e-10 3.4496419e-10 1.4035853e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 6.6e-06 1.29e-05 ] [ -3.7e-06 1.79e-05 -5.9e-06 ] [ -2.59e-05 -1.66e-05 8.5e-06 ] [ 2.4e-05 -2.14e-05 -1.3e-06 ] [ 7.6e-06 1.34e-05 -1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-15 1.057436569728e-14 2.066807840832e-14 ] [ -5.928053496960001e-15 2.867896151232001e-14 -9.45284206272e-15 ] [ -4.149637447872e-14 -2.659613190528e-14 1.36185012768e-14 ] [ 3.84522388992e-14 -3.428657968511999e-14 -2.08282960704e-15 ] [ 1.217654231808e-14 2.146916671872e-14 -2.291112567744e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }