{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.4457646 37.0316559 46.1325882 ] [ 9.3481896 -24.0491374 -30.4227439 ] [ 9.7074532 -56.4412576 -22.3607595 ] [ 8.5761512 -11.0582184 15.5608853 ] [ -1.7216565 -15.916506 26.2090684 ] [ 2.7741391 28.7519589 -46.0167889 ] [ -2.2385119 41.6815047 10.8977504 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.237078611038435e-08 5.933125380130823e-08 7.391255487998411e-08 ] [ 1.49774509473218e-08 -3.85309660101355e-08 -4.874260941874603e-08 ] [ 1.555305469268853e-08 -9.042886412029491e-08 -3.582588638939352e-08 ] [ 1.374050906229106e-08 -1.771721913414886e-08 2.493128683201408e-08 ] [ -2.75839781607422e-09 -2.55010540081208e-08 4.199155698938777e-08 ] [ 4.444660845485789e-09 4.606571673130834e-08 -7.372702394729056e-08 ] [ -3.586491461110944e-09 6.678113290030117e-08 1.746012105404415e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 29.949602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.798455252199966e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4074046 3.9305862 3.3595649 ] [ 5.6971264 2.5604091 1.4983803 ] [ 2.9780792 1.2092936 1.9021519 ] [ 5.892338 2.1391261 4.3361864 ] [ 3.2590163 1.5634716 4.6692495 ] [ 3.2756653 3.8811361 0.6568864 ] [ 5.0504762 4.7280153 3.4989902 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4074046e-10 3.9305862e-10 3.3595649e-10 ] [ 5.697126400000001e-10 2.5604091e-10 1.4983803e-10 ] [ 2.9780792e-10 1.2092936e-10 1.9021519e-10 ] [ 5.892338e-10 2.1391261e-10 4.3361864e-10 ] [ 3.2590163e-10 1.5634716e-10 4.6692495e-10 ] [ 3.2756653e-10 3.8811361e-10 6.568864e-11 ] [ 5.050476200000001e-10 4.728015300000001e-10 3.4989902e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.9e-06 5.02e-05 5.68e-05 ] [ 3.2e-05 3.48e-05 -6e-06 ] [ -3.75e-05 -6.32e-05 2.6e-06 ] [ 1.26e-05 1.19e-05 1.41e-05 ] [ -1.23e-05 -4.7e-06 -4e-05 ] [ 9.4e-06 -1.39e-05 -2.34e-05 ] [ -3e-07 -1.5e-05 -4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.248488872599999e-15 8.04292670268e-14 9.100363281119999e-14 ] [ 5.126965228799999e-14 5.575574686319999e-14 -9.613059803999999e-15 ] [ -6.008162377499999e-14 -1.012575632688e-13 4.165659248399999e-15 ] [ 2.01874255884e-14 1.90659019446e-14 2.25906905394e-14 ] [ -1.97067725982e-14 -7.530230179799999e-15 -6.408706535999999e-14 ] [ 1.50604603596e-14 -2.22702552126e-14 -3.749093323559999e-14 ] [ -4.806529901999999e-16 -2.403264951e-14 -6.568924199399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.983946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.041563470231776e-18 } }