{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.052782 0.533749 2.863364 ] [ 2.918449 2.894241 2.581593 ] [ 2.15775 1.828991 4.761683 ] [ 4.980199 1.864144 2.667187 ] [ 4.882978 3.954202 1.645371 ] [ 4.390119 4.230009 4.149708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.052782e-10 5.33749e-11 2.863364e-10 ] [ 2.918449e-10 2.894241e-10 2.581593e-10 ] [ 2.15775e-10 1.828991e-10 4.761683e-10 ] [ 4.980199e-10 1.864144e-10 2.667187e-10 ] [ 4.882978e-10 3.954202e-10 1.645371e-10 ] [ 4.390119000000001e-10 4.230009e-10 4.149708000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2829174 -5.3763732 -0.0438266 ] [ -9.1236415 4.1507072 -1.3631646 ] [ -0.7302981 0.2545733 1.8527681 ] [ 7.9043277 -5.9202381 -0.0173394 ] [ 3.1806621 4.2301481 -4.2445389 ] [ 0.0518672 2.6611827 3.8161013 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.055460264697522e-09 -8.613899445735683e-09 -7.021795388915329e-11 ] [ -1.461768510786064e-08 6.650166035626231e-09 -2.184030452422183e-09 ] [ -1.17006654203466e-09 4.078713895399046e-10 2.968461733584037e-09 ] [ 1.266412904408184e-08 -9.485267073389414e-09 -2.778078129869952e-11 ] [ 5.095982455284632e-09 6.777444388341541e-09 -6.800500991656149e-09 ] [ 8.310041522635776e-11 4.263684705617421e-09 6.114068285464487e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0724457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.293348377321749e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2322523 0.7156907 2.8406566 ] [ 2.2032935 2.9563036 2.0193294 ] [ 2.4749809 2.5069074 4.5645107 ] [ 5.4193342 1.6981944 2.7806259 ] [ 4.3903684 3.9388039 1.959298 ] [ 4.6620477 3.4894359 4.5044853 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2322523e-10 7.156907e-11 2.8406566e-10 ] [ 2.2032935e-10 2.9563036e-10 2.0193294e-10 ] [ 2.4749809e-10 2.5069074e-10 4.5645107e-10 ] [ 5.4193342e-10 1.6981944e-10 2.7806259e-10 ] [ 4.3903684e-10 3.9388039e-10 1.959298e-10 ] [ 4.6620477e-10 3.4894359e-10 4.5044853e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.01e-05 -1.59e-05 -2.01e-05 ] [ -5.34e-05 8e-06 -2.38e-05 ] [ -1.97e-05 4.07e-05 3.85e-05 ] [ -2.93e-05 3.39e-05 1.08e-05 ] [ 3.47e-05 -3.51e-05 6.4e-05 ] [ 7.7e-06 -3.16e-05 -6.94e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.629081491008e-14 -2.547460827072e-14 -3.220375007808e-14 ] [ -8.555623155072e-14 1.28174129664e-14 -3.813180357504e-14 ] [ -3.156287942976e-14 6.520858846656e-14 6.16837999008e-14 ] [ -4.694377498944e-14 5.431378744512e-14 1.730350750464e-14 ] [ 5.559552874176001e-14 -5.623639939008e-14 1.025393037312e-13 ] [ 1.233675998016e-14 -5.062878121728e-14 -1.1119105748352e-13 ] ] } "relaxed-potential-energy" { "source-value" -14.187542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.273094809901807e-18 } }