{ "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" [ [ 0.7790934 0.8056525 -0.7015113 ] [ 1.5568045 0.2213892 -1.7095981 ] [ -2.6623057 -1.8143429 1.9216697 ] [ 2.1034658 1.7706321 -0.4194567 ] [ -1.2676242 -2.6502932 -3.4669278 ] [ -1.2582049 0.5687243 -1.0256903 ] [ 0.7487711 1.0982379 5.4015145 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.248245230899583e-09 1.290797599989072e-09 -1.123945004087015e-09 ] [ 2.494275773056234e-09 3.547046003376154e-10 -2.739078106784101e-09 ] [ -4.265483949962579e-09 -2.906897776494472e-09 3.07885426623975e-09 ] [ 3.370123727412368e-09 2.836865354658008e-09 -6.720437181779194e-10 ] [ -2.030957857200303e-09 -4.246237803305219e-09 -5.554630667161579e-09 ] [ -2.015866474956002e-09 9.111967771408454e-10 -1.643337018841338e-09 ] [ 1.199663550750699e-09 1.759571087456488e-09 8.654180248812201e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.589486085572457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.21596971701911e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0082973 1.7977799 2.9536012 ] [ 2.072028 3.6694274 1.4121575 ] [ 1.4028542 3.8654486 3.7352918 ] [ 2.8879032 5.3999839 2.9030283 ] [ 3.8675312 2.054429 1.6382265 ] [ 4.4111595 4.2807134 1.6069693 ] [ 3.7590696 3.2899148 3.7226874 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0082973e-10 1.7977799e-10 2.9536012e-10 ] [ 2.072028e-10 3.6694274e-10 1.4121575e-10 ] [ 1.4028542e-10 3.8654486e-10 3.7352918e-10 ] [ 2.8879032e-10 5.3999839e-10 2.9030283e-10 ] [ 3.8675312e-10 2.054429e-10 1.6382265e-10 ] [ 4.4111595e-10 4.2807134e-10 1.6069693e-10 ] [ 3.7590696e-10 3.2899148e-10 3.7226874e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.81e-05 3.52e-05 1.49e-05 ] [ -1.36e-05 2e-06 1.4e-05 ] [ -1.66e-05 -3.88e-05 -1.47e-05 ] [ 1.33e-05 2.5e-06 -1.98e-05 ] [ 2.56e-05 2.32e-05 -1.09e-05 ] [ -8.2e-06 -1.73e-05 7.6e-06 ] [ 2.76e-05 -6.8e-06 8.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.502116304448e-14 5.639661705216e-14 2.387243164992e-14 ] [ -2.178960204288e-14 3.2043532416e-15 2.24304726912e-14 ] [ -2.659613190528e-14 -6.216445288704e-14 -2.355199632576e-14 ] [ 2.130894905664e-14 4.005441552e-15 -3.172309709184e-14 ] [ 4.101572149248001e-14 3.717049760256e-14 -1.746372516672e-14 ] [ -1.313784829056e-14 -2.771765553984e-14 1.217654231808e-14 ] [ 4.422007473408001e-14 -1.089480102144e-14 1.425937192512e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }