{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.085802 0.6802636 0.532399 ] [ -1.8971778 -0.1877631 2.213784 ] [ 2.5032267 -0.2828798 -1.5071949 ] [ 0.8360046 -0.0006966 -0.5568316 ] [ -1.5278554 -0.2089242 -0.6821566 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.374699584178816e-10 1.089902435901243e-09 8.529972307372992e-10 ] [ -3.039613916660778e-09 -3.008296490689325e-10 3.546872968301107e-09 ] [ 4.010611295302335e-09 -4.532234020565799e-10 -2.414792431768994e-09 ] [ 1.339427025001256e-09 -1.11607623404928e-12 -8.921425712426573e-10 ] [ -2.447894201843032e-09 -3.347334687593433e-10 -1.092935356244417e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.533260775408902 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.263084430349822e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1045462 1.9255725 0.3174032 ] [ 1.7910686 1.8307967 2.6194194 ] [ 3.1077878 0.8240119 0.8780469 ] [ 1.8862478 3.8814472 1.368212 ] [ 3.8893157 2.7797647 1.9292263 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1045462e-10 1.9255725e-10 3.174032e-11 ] [ 1.7910686e-10 1.8307967e-10 2.6194194e-10 ] [ 3.1077878e-10 8.240119000000001e-11 8.780469e-11 ] [ 1.8862478e-10 3.881447200000001e-10 1.368212e-10 ] [ 3.8893157e-10 2.7797647e-10 1.9292263e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.21e-05 -4.5e-06 2.54e-05 ] [ 1.53e-05 1.51e-05 -6.76e-05 ] [ -2.62e-05 -1.42e-05 5e-05 ] [ -2.42e-05 3.03e-05 6.44e-05 ] [ -5.7e-05 -2.67e-05 -7.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.4756046677568e-13 -7.2097947936e-15 4.069528616832e-14 ] [ 2.451330229824e-14 2.419286697408e-14 -1.0830713956608e-13 ] [ -4.197702746496e-14 -2.275090801536e-14 8.010883104e-14 ] [ -3.877267422336e-14 4.854595161024e-14 1.0318017437952e-13 ] [ -9.13240673856e-14 -4.277811577536e-14 -1.1551693435968e-13 ] ] } "relaxed-potential-energy" { "source-value" -5.786807775408899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.271488126823796e-19 } }