{ "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" [ [ 1.922149 2.490454 3.411092 ] [ 2.441615 3.416271 1.506229 ] [ 2.671317 4.814549 3.971801 ] [ 3.703717 1.527403 2.621349 ] [ 3.855488 2.690161 4.660198 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.922149e-10 2.490454e-10 3.411092e-10 ] [ 2.441615e-10 3.416271e-10 1.506229e-10 ] [ 2.671317e-10 4.814549e-10 3.971801e-10 ] [ 3.703717e-10 1.527403e-10 2.621349e-10 ] [ 3.855488e-10 2.690161e-10 4.660198e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.5344286 -1.7145745 4.2939396 ] [ 1.5752031 1.6172125 -4.1259381 ] [ 1.2927934 0.974758 0.6784955 ] [ 4.9239562 -2.5996706 -3.5109538 ] [ 2.7424759 1.7222746 2.6644568 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.687801521640687e-08 -2.747051178519849e-09 6.879649638247304e-09 ] [ 2.523753579831684e-09 2.59106005836552e-09 -6.610481562687973e-09 ] [ 2.071283361004543e-09 1.561734478537766e-09 1.087069627418007e-09 ] [ 7.88904750548321e-09 -4.165131457101109e-09 -5.625168095068919e-09 ] [ 4.393930770087439e-09 2.759388098717672e-09 4.268930392091582e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2599971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.427444379095799e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1899571 2.4052477 3.3316167 ] [ 2.446266 3.2344214 1.4571294 ] [ 2.9780817 4.6662107 4.1415365 ] [ 3.967484 1.719928 2.6080792 ] [ 4.0124972 2.9130301 4.6323073 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1899571e-10 2.4052477e-10 3.3316167e-10 ] [ 2.446266e-10 3.2344214e-10 1.4571294e-10 ] [ 2.9780817e-10 4.6662107e-10 4.1415365e-10 ] [ 3.967484e-10 1.719928e-10 2.6080792e-10 ] [ 4.0124972e-10 2.9130301e-10 4.6323073e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.5188396 0.3903528 -0.9189946 ] [ -0.9779267 -0.5585117 -0.2713059 ] [ 0.4491371 -0.5436661 0.1667706 ] [ 0.3731052 0.9757638 0.9341534 ] [ 0.674524 -0.263939 0.0893765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.312726770652236e-10 6.254141300238183e-10 -1.472391662761448e-09 ] [ -1.566811295596095e-09 -8.948343881832635e-10 -4.346799700651027e-10 ] [ 7.195969611539118e-10 -8.710491149415149e-10 2.671959563567885e-10 ] [ 5.977804285389082e-10 1.563345947782967e-09 1.496678737720831e-09 ] [ 1.080706582968499e-09 -4.228768951173312e-10 1.431969387489312e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.215233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.957096073022464e-18 } }