{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.41976 2.173724 1.743633 ] [ 1.73064 2.628356 3.804992 ] [ 2.229685 4.150034 1.946802 ] [ 3.641834 1.485515 2.800746 ] [ 4.113003 2.080099 4.963049 ] [ 4.173975 3.620344 3.169433 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.41976e-10 2.173724e-10 1.743633e-10 ] [ 1.73064e-10 2.628356e-10 3.804992e-10 ] [ 2.229685e-10 4.150034e-10 1.946802e-10 ] [ 3.641834e-10 1.485515e-10 2.800746e-10 ] [ 4.113003e-10 2.080099e-10 4.963049e-10 ] [ 4.173975000000001e-10 3.620344e-10 3.169433e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9594513 -8.292161 -13.1848916 ] [ -28.3870055 -2.5851136 21.9766116 ] [ -3.0030435 23.3647156 -11.8804452 ] [ 15.2113786 -26.8157347 -8.5544429 ] [ 7.5792866 -4.5715385 16.8426055 ] [ 19.5588351 18.8998322 -5.1994375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.755897664965617e-08 -1.328550649010955e-08 -2.112452506930231e-08 ] [ -4.548099654662101e-08 -4.141808572032124e-09 3.521041330992208e-08 ] [ -4.811406086945405e-09 3.743440108596105e-08 -1.903457154413558e-08 ] [ 2.437131516305744e-08 -4.29635432059153e-08 -1.370572841834855e-08 ] [ 1.214335579286272e-08 -7.324412105787101e-09 2.69848287654575e-08 ] [ 3.133670832730243e-08 3.028086928788303e-08 -8.330417203810801e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 12.884214 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.064278644818405e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5530184 2.1543136 2.0137 ] [ 1.3723611 2.3656276 4.4965833 ] [ 2.6283175 4.2508604 1.6230569 ] [ 3.6261451 0.8261299 2.4380637 ] [ 3.867275 2.2340223 4.4878706 ] [ 4.2617799 4.3071183 3.3693805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5530184e-10 2.1543136e-10 2.0137e-10 ] [ 1.3723611e-10 2.3656276e-10 4.4965833e-10 ] [ 2.6283175e-10 4.2508604e-10 1.6230569e-10 ] [ 3.6261451e-10 8.261299000000001e-11 2.4380637e-10 ] [ 3.867275e-10 2.2340223e-10 4.4878706e-10 ] [ 4.2617799e-10 4.3071183e-10 3.3693805e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.58e-05 4.3e-06 -4.4e-05 ] [ -8.4e-06 -7.6e-06 1.1e-06 ] [ -8.6e-06 5.5e-06 -1.51e-05 ] [ -1.52e-05 -5.8e-06 1.49e-05 ] [ 5.92e-05 6.1e-06 2.57e-05 ] [ -1.2e-06 -2.5e-06 1.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.133615681664e-14 6.889359469440001e-15 -7.04957713152e-14 ] [ -1.345828361472e-14 -1.217654231808e-14 1.76239428288e-15 ] [ -1.377871893888e-14 8.8119714144e-15 -2.419286697408e-14 ] [ -2.435308463616e-14 -9.292624400640001e-15 2.387243164992e-14 ] [ 9.484885595136001e-14 9.77327738688e-15 4.117593915456e-14 ] [ -1.92261194496e-15 -4.005441552e-15 2.787787320192e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }