{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9997932 -9.5951914 -1.6956606 ] [ -6.4172004 2.5398481 3.3424032 ] [ -14.3222122 4.145608 6.7017789 ] [ -5.8781042 -13.2386599 -11.5327677 ] [ 5.4896603 4.0361267 9.6558121 ] [ 14.359857 15.3017262 -13.7415465 ] [ 9.7677927 -3.1894577 7.2699805 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.806198571872089e-09 -1.537319145983775e-08 -2.71674779251442e-09 ] [ -1.028148853657545e-08 4.069285279729295e-09 5.355120308446829e-09 ] [ -2.294671373402973e-08 6.641996271323471e-09 1.073743355981422e-08 ] [ -9.417761201457263e-09 -2.121067155725277e-08 -1.847753093428992e-08 ] [ 8.79540546125743e-09 6.466587890603526e-09 1.547031652891447e-08 ] [ 2.300702735298133e-08 2.451606817750561e-08 -2.201638471732448e-08 ] [ 1.564972922969577e-08 -5.110074602071382e-09 1.164779288673563e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.182714 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.112103634350468e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5437378 0.6785356 3.67778 ] [ 1.4421858 3.0771623 4.2651004 ] [ 1.6202509 4.8630853 2.424312 ] [ 3.0036154 2.5941204 1.9448369 ] [ 3.7796275 2.4079655 5.240998 ] [ 4.163204 5.1333388 2.168413 ] [ 5.2218635 3.0717668 3.2848817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5437378e-10 6.785356e-11 3.67778e-10 ] [ 1.4421858e-10 3.0771623e-10 4.2651004e-10 ] [ 1.6202509e-10 4.8630853e-10 2.424312e-10 ] [ 3.0036154e-10 2.5941204e-10 1.9448369e-10 ] [ 3.7796275e-10 2.4079655e-10 5.240998e-10 ] [ 4.163204e-10 5.1333388e-10 2.168413e-10 ] [ 5.221863500000001e-10 3.0717668e-10 3.2848817e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.74e-05 -3.11e-05 1.09e-05 ] [ -3.11e-05 -9.1e-06 9.6e-06 ] [ 3.6e-05 -4.5e-06 2.8e-05 ] [ 1.33e-05 3.59e-05 -6.1e-06 ] [ -2.02e-05 1.74e-05 -6.4e-06 ] [ 7e-07 -2e-06 -2.93e-05 ] [ -1.61e-05 -6.6e-06 -6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.78778734316e-14 -4.982769331739999e-14 1.74637253106e-14 ] [ -4.982769331739999e-14 -1.45798073694e-14 1.53808956864e-14 ] [ 5.7678358824e-14 -7.209794853e-15 4.486094575199999e-14 ] [ 2.13089492322e-14 5.751814116059999e-14 -9.773277467399999e-15 ] [ -3.236396800679999e-14 2.78778734316e-14 -1.02539304576e-14 ] [ 1.1215236438e-15 -3.204353268e-15 -4.69437753762e-14 ] [ -2.579504380739999e-14 -1.05743657844e-14 -1.08948011112e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.496311 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.764524046939717e-18 } }