{ "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" [ [ 0.5094065 0.6220131 0.2703167 ] [ 0.4530106 0.160144 2.650194 ] [ 0.6482707 2.949508 2.588273 ] [ 2.962565 0.672996 2.425796 ] [ 1.742585 2.553059 0.6145101 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.094065e-11 6.220131e-11 2.703167e-11 ] [ 4.530106e-11 1.60144e-11 2.650194e-10 ] [ 6.482707e-11 2.949508e-10 2.588273e-10 ] [ 2.962565e-10 6.72996e-11 2.425796e-10 ] [ 1.742585e-10 2.553059e-10 6.145100999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0014322 -2.0655198 -1.3432785 ] [ 0.3949432 1.2925106 -0.5126393 ] [ -2.4746181 1.0187202 3.1313857 ] [ 1.5056342 -0.5389606 0.3646089 ] [ 2.5754728 0.2932497 -1.6400768 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.206647905375214e-09 -3.309327560624353e-09 -2.152169425654569e-09 ] [ 6.327687667971887e-10 2.07083028251732e-09 -8.213387081301161e-10 ] [ -3.964775297893474e-09 1.632169701023806e-09 5.017033000581733e-09 ] [ 2.412291934591283e-09 -8.635100799666204e-10 5.841678601284426e-10 ] [ 4.126362341662555e-09 4.698378172675098e-10 -2.62769272692549e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.952086 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.754717628275852e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.395584 0.5688305 0.1987689 ] [ 0.4078344 0.4032999 2.6579471 ] [ 0.4600275 2.8675056 2.6528375 ] [ 3.165004 0.6479342 2.3564199 ] [ 1.887388 2.4701499 0.6831163 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.95584e-11 5.688305e-11 1.987689e-11 ] [ 4.078344e-11 4.032999e-11 2.6579471e-10 ] [ 4.600275e-11 2.8675056e-10 2.6528375e-10 ] [ 3.165004e-10 6.479342e-11 2.3564199e-10 ] [ 1.887388e-10 2.4701499e-10 6.831163e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.9e-06 -2.56e-05 2.18e-05 ] [ -1.46e-05 2.9e-06 -1.57e-05 ] [ -3.26e-05 2.51e-05 2.04e-05 ] [ 2.7e-05 -3.07e-05 -9.4e-06 ] [ 1.54e-05 2.83e-05 -1.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850665506599998e-15 -4.10157218304e-14 3.492745062119999e-14 ] [ -2.33917788564e-14 4.6463122386e-15 -2.515417315379999e-14 ] [ -5.22309582684e-14 4.02146335134e-14 3.26844033336e-14 ] [ 4.325876911799999e-14 -4.91868226638e-14 -1.50604603596e-14 ] [ 2.46735201636e-14 4.53415987422e-14 -2.73972204414e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.892431 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.905377506965725e-18 } }