{ "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" [ [ 0.049795 0.7119441 0.3423404 ] [ 0.1447331 1.623908 1.772641 ] [ 2.54973 0.1092944 1.824085 ] [ 1.77811 2.382187 0.8238028 ] [ 2.019176 2.140924 2.983896 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.9795e-12 7.119441e-11 3.423404e-11 ] [ 1.447331e-11 1.623908e-10 1.772641e-10 ] [ 2.54973e-10 1.092944e-11 1.824085e-10 ] [ 1.77811e-10 2.382187e-10 8.238028e-11 ] [ 2.019176e-10 2.140924e-10 2.983896e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7578292 -16.0223784 -24.5599254 ] [ -13.6662615 14.3053567 26.6185275 ] [ 6.6550285 -4.6901759 0.3243284 ] [ 8.297974 5.5346747 -9.0923476 ] [ 2.4710882 0.8725229 6.7094172 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.020706138802912e-09 -2.56706802935863e-08 -3.93493386086631e-08 ] [ -2.189576484943379e-08 2.291970824577535e-08 4.264758279198643e-08 ] [ 1.066253116130407e-08 -7.514490236329919e-09 5.196313842226056e-10 ] [ 1.329482005233952e-08 8.867526481130958e-09 -1.456754687292598e-08 ] [ 3.959119774593119e-09 1.397935803009918e-09 1.07496714655977e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.7646357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.225081452062234e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.0623256 1.4895148 0.1289359 ] [ -0.4216732 1.8311136 2.3985891 ] [ 3.2245947 1.0640322 1.902363 ] [ 2.1911924 1.0154385 -0.1777484 ] [ 1.6097558 1.5681584 3.4946254 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.23256e-12 1.4895148e-10 1.289359e-11 ] [ -4.216732000000001e-11 1.8311136e-10 2.3985891e-10 ] [ 3.2245947e-10 1.0640322e-10 1.902363e-10 ] [ 2.1911924e-10 1.0154385e-10 -1.777484e-11 ] [ 1.6097558e-10 1.5681584e-10 3.4946254e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.5e-06 7e-07 -4e-07 ] [ -1.3e-06 2.5e-06 -1.4e-06 ] [ -2.2e-06 7e-06 2.8e-06 ] [ -3.5e-06 -4.5e-06 -3.6e-06 ] [ 3.5e-06 -5.7e-06 2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.607618218999999e-15 1.1215236438e-15 -6.408706536e-16 ] [ -2.0828296242e-15 4.005441585e-15 -2.2430472876e-15 ] [ -3.5247885948e-15 1.1215236438e-14 4.486094575199999e-15 ] [ -5.607618218999999e-15 -7.209794853e-15 -5.767835882399999e-15 ] [ 5.607618218999999e-15 -9.1324068138e-15 4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389316693314e-18 } }