{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8853123 5.7608379 7.4572714 ] [ 0.3997445 -15.6349484 10.6638329 ] [ 9.1985584 7.8355242 -11.206499 ] [ -5.7319284 -4.5885321 4.6932416 ] [ -3.4993776 -6.4136402 -7.1723168 ] [ -5.2954498 4.0849697 4.4007625 ] [ 1.0431406 8.9557888 -8.8362926 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.224956531566676e-09 9.22987979959857e-09 1.194786589204049e-08 ] [ 6.404612921933857e-10 -2.504994879389437e-08 1.708534376049786e-08 ] [ 1.473771521354345e-08 1.255389368495262e-08 -1.795479069881858e-08 ] [ -9.183561674579553e-09 -7.351638854410328e-09 7.519401967285986e-09 ] [ -5.606620978071215e-09 -1.027578438266304e-08 -1.149131829393107e-08 ] [ -8.484245866180036e-09 6.54484295001639e-09 7.05079879119336e-09 ] [ 1.671295481527285e-09 1.434875543618249e-08 -1.415730141826805e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -34.195758 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.478764399813456e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0609976 1.5070673 1.4524922 ] [ 2.3225286 1.5831996 3.5297926 ] [ 2.9717771 3.4369859 2.5256686 ] [ 4.9279031 2.5114658 2.0770737 ] [ 4.193058 2.5895492 4.1555877 ] [ 3.544966 0.7312137 5.1635685 ] [ 4.2824535 0.6558832 3.0803266 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0609976e-10 1.5070673e-10 1.4524922e-10 ] [ 2.3225286e-10 1.5831996e-10 3.5297926e-10 ] [ 2.9717771e-10 3.4369859e-10 2.5256686e-10 ] [ 4.9279031e-10 2.5114658e-10 2.0770737e-10 ] [ 4.193058e-10 2.5895492e-10 4.1555877e-10 ] [ 3.544966e-10 7.312137e-11 5.1635685e-10 ] [ 4.2824535e-10 6.558832e-11 3.0803266e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.58e-05 -1.88e-05 -3.71e-05 ] [ -1.99e-05 -1.41e-05 2.75e-05 ] [ -1.29e-05 3.06e-05 -4.1e-06 ] [ 2.08e-05 4.03e-05 -4e-06 ] [ 1.78e-05 -3.19e-05 -1.28e-05 ] [ 1.6e-05 8.1e-06 -1.18e-05 ] [ -3.76e-05 -1.42e-05 4.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.531439060864e-14 -3.012092047104e-14 -5.944075263168e-14 ] [ -3.188331475392e-14 -2.259069035328e-14 4.4059857072e-14 ] [ -2.066807840832e-14 4.902660459647999e-14 -6.568924145279999e-15 ] [ 3.332527371264e-14 6.456771781824e-14 -6.4087064832e-15 ] [ 2.851874385024e-14 -5.110943420352001e-14 -2.050786074624e-14 ] [ 2.56348259328e-14 1.297763062848e-14 -1.890568412544e-14 ] [ -6.024184094208e-14 -2.275090801536e-14 6.761185339776e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }