{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -28.8962461 21.8654774 -39.1906946 ] [ 6.0234219 -11.3467936 49.6155479 ] [ 21.8085651 -11.8755138 -10.7935858 ] [ -36.2290259 38.3373295 -39.5745227 ] [ 37.293285 -36.9804994 39.9432551 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.629689031173362e-08 3.503235698153506e-08 -6.279041515834997e-08 ] [ 9.650585824903882e-09 -1.817956757674074e-08 7.949287152848776e-08 ] [ 3.494117342428787e-08 -1.902667072710455e-08 -1.72932309658342e-08 ] [ -5.804529876956082e-08 6.14231735348589e-08 -6.340537557164259e-08 ] [ 5.975042983210268e-08 -5.924929205233101e-08 6.399615000712132e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 24.279306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.8899736762936e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.4558152 0.9447324 0.6645602 ] [ 0.598102 0.5591534 2.8648996 ] [ 1.8315236 0.0133167 0.7026503 ] [ 1.3897998 2.441017 1.3396415 ] [ 3.0020999 1.0642648 2.6068999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.558152e-11 9.447324000000001e-11 6.645602000000001e-11 ] [ 5.981020000000001e-11 5.591534e-11 2.8648996e-10 ] [ 1.8315236e-10 1.33167e-12 7.026503e-11 ] [ 1.3897998e-10 2.441017e-10 1.3396415e-10 ] [ 3.0020999e-10 1.0642648e-10 2.6068999e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.08e-05 -7.4e-06 -3.1e-06 ] [ -4.8e-06 6.9e-06 9.8e-06 ] [ 9e-06 -1.2e-06 -1.16e-05 ] [ 4.2e-06 6.3e-06 2.1e-06 ] [ 2.3e-06 -4.7e-06 2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.73035076472e-14 -1.18561070916e-14 -4.9667475654e-15 ] [ -7.690447843199998e-15 1.10550187746e-14 1.57013310132e-14 ] [ 1.4419589706e-14 -1.9226119608e-15 -1.85852489544e-14 ] [ 6.729141862799999e-15 1.00937127942e-14 3.364570931399999e-15 ] [ 3.685006258199999e-15 -7.530230179799999e-15 4.3258769118e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.29999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.291110984443366e-18 } }