{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1050411 -2.2184953 -0.5877389 ] [ -2.0240799 0.4258449 0.7553483 ] [ -2.733381 -2.0017884 -0.1713435 ] [ 1.1267991 -0.2689648 0.6686894 ] [ 1.3842968 -1.1408039 -0.1637858 ] [ 3.0521588 1.8357497 -0.4169005 ] [ 1.2992473 3.3684579 -0.084269 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.372647636243115e-09 -3.554421303014682e-09 -9.41661524714709e-10 ] [ -3.242933494411202e-09 6.822787428669139e-10 1.210201386821025e-09 ] [ -4.379359133938925e-09 -3.207218574268639e-09 -2.745225498260448e-10 ] [ 1.805331174358481e-09 -4.309291143781478e-10 1.07135852325678e-09 ] [ 2.217887969208253e-09 -1.827769337497461e-09 -2.624137795790246e-10 ] [ 4.890097472328983e-09 2.941195250980614e-09 -6.679482342998303e-10 ] [ 2.081623648697524e-09 5.396864495529065e-09 -1.350138216581952e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.110846 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.58124208025092e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4000649 2.4177441 0.5084986 ] [ 1.9342067 4.8102004 1.3251447 ] [ 1.9620808 2.7450452 2.8555079 ] [ 4.6918482 2.7046118 0.9177315 ] [ 4.2615121 3.0261453 3.2238115 ] [ 4.3674232 4.992817 0.5165581 ] [ 3.9294591 5.3200602 2.8635865 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4000649e-10 2.4177441e-10 5.084986000000001e-11 ] [ 1.9342067e-10 4.8102004e-10 1.3251447e-10 ] [ 1.9620808e-10 2.7450452e-10 2.8555079e-10 ] [ 4.6918482e-10 2.7046118e-10 9.177315e-11 ] [ 4.2615121e-10 3.0261453e-10 3.2238115e-10 ] [ 4.3674232e-10 4.992817e-10 5.165581e-11 ] [ 3.9294591e-10 5.320060200000001e-10 2.8635865e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.43e-05 1.98e-05 -1.85e-05 ] [ 1.66e-05 1.42e-05 -5.9e-06 ] [ 8.4e-06 -2.67e-05 4.3e-06 ] [ 6.2e-06 1.99e-05 -6e-07 ] [ 1.25e-05 3.06e-05 1.1e-05 ] [ -1.24e-05 -4.42e-05 4.22e-05 ] [ -6.9e-06 -1.36e-05 -3.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.893289188544e-14 3.172309709184e-14 -2.96402674848e-14 ] [ 2.659613190528e-14 2.275090801536e-14 -9.45284206272e-15 ] [ 1.345828361472e-14 -4.277811577536e-14 6.889359469440001e-15 ] [ 9.93349504896e-15 3.188331475392e-14 -9.6130597248e-16 ] [ 2.002720776e-14 4.902660459647999e-14 1.76239428288e-14 ] [ -1.986699009792e-14 -7.081620663936001e-14 6.761185339776e-14 ] [ -1.105501868352e-14 -2.178960204288e-14 -5.223095783807999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.320543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.93527456749611e-18 } }