{ "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" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4925735 0.204161 -2.3935213 ] [ 0.0914865 -0.9138577 3.5541615 ] [ 2.5778604 2.3941602 -1.480329 ] [ -0.5224875 -1.5183198 2.5813017 ] [ -0.704252 -2.363178 -7.0270048 ] [ 1.0643851 4.5342215 1.5890461 ] [ -2.014419 -2.3371872 3.1763458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.891897457256288e-10 3.271019810791488e-10 -3.834843868246823e-09 ] [ 1.465775314188192e-10 -1.46416144167806e-09 5.694394461847459e-09 ] [ 4.130187664566137e-09 3.835867498889852e-09 -2.371748514892243e-09 ] [ -8.371172571602399e-10 -2.432616486457732e-09 4.135701234971295e-09 ] [ -1.128336089551642e-09 -3.786228542388902e-09 -1.125850280480938e-08 ] [ 1.70533292274787e-09 7.264623680828707e-09 2.545932510793419e-09 ] [ -3.227455026295316e-09 -3.744586690273014e-09 5.089066980336272e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.248679 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.885066657908392e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0048024 2.8830483 2.0696131 ] [ 3.1530312 1.8181407 2.3833182 ] [ 1.8727125 2.5456416 4.301312 ] [ 1.7050212 4.7754822 3.3935644 ] [ 3.0274256 4.0240478 1.4125026 ] [ 3.7482916 5.8764898 2.7654421 ] [ 3.9238763 3.6755395 3.7175896 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0048024e-10 2.8830483e-10 2.0696131e-10 ] [ 3.1530312e-10 1.8181407e-10 2.3833182e-10 ] [ 1.8727125e-10 2.5456416e-10 4.301312000000001e-10 ] [ 1.7050212e-10 4.7754822e-10 3.3935644e-10 ] [ 3.0274256e-10 4.0240478e-10 1.4125026e-10 ] [ 3.7482916e-10 5.8764898e-10 2.7654421e-10 ] [ 3.9238763e-10 3.675539500000001e-10 3.7175896e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.03e-05 7.3e-06 3.22e-05 ] [ -3.39e-05 -2.7e-05 1.19e-05 ] [ 2.51e-05 2.8e-06 -4.03e-05 ] [ 3.46e-05 5.2e-06 -8.1e-06 ] [ 2.31e-05 -1.88e-05 6.99e-05 ] [ -2.24e-05 4.33e-05 5.8e-06 ] [ -7.66e-05 -1.28e-05 -7.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.058948402624e-14 1.169588933184e-14 5.159008718975999e-14 ] [ -5.431378744512e-14 -4.32587687616e-14 1.906590178752e-14 ] [ 4.021463318208e-14 4.48609453824e-15 -6.456771781824e-14 ] [ 5.543531107968001e-14 8.33131842816e-15 -1.297763062848e-14 ] [ 3.701027994048e-14 -3.012092047104e-14 1.1199214579392e-13 ] [ -3.588875630592e-14 6.937424768064e-14 9.292624400640001e-15 ] [ -1.2272672915328e-13 -2.050786074624e-14 -1.1407497540096e-13 ] ] } "relaxed-potential-energy" { "source-value" -29.696934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973336424062e-18 } }