{ "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" [ [ 0.5231689 0.1640524 1.493785 ] [ 2.625554 0.0718253 0.0473088 ] [ 2.391634 1.372958 2.83206 ] [ 1.806242 1.946446 0.9821647 ] [ 1.54049 2.8226 2.60214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.231689000000001e-11 1.640524e-11 1.493785e-10 ] [ 2.625554e-10 7.18253e-12 4.73088e-12 ] [ 2.391634e-10 1.372958e-10 2.83206e-10 ] [ 1.806242e-10 1.946446e-10 9.821647e-11 ] [ 1.54049e-10 2.8226e-10 2.60214e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8534923 0.7674479 1.1357536 ] [ -0.4867797 -1.0194898 1.40661 ] [ 16.1682002 -31.7732542 7.8467997 ] [ -0.0917672 -2.5371641 -19.2005386 ] [ -18.4431456 34.5624602 8.8113753 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.57179865069282e-09 1.229587083062056e-09 1.819677864909435e-09 ] [ -7.799070548200378e-10 -1.633402722704068e-09 2.253637656583488e-09 ] [ 2.590431236085388e-08 -5.090636504597541e-08 1.257195902744045e-08 ] [ -1.470272623962777e-10 -4.064985004153073e-09 -3.076265405168797e-08 ] [ -2.954917669433039e-08 5.537516568977049e-08 1.411737950275459e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8461419 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.096872849485929e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.579352 0.1357463 1.4436022 ] [ 2.7299465 0.0723069 0.4544628 ] [ 2.4380495 0.9606198 2.5919344 ] [ 1.5928994 2.0968195 0.6815304 ] [ 1.5468415 3.1123893 2.7859288 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.79352e-11 1.357463e-11 1.4436022e-10 ] [ 2.7299465e-10 7.23069e-12 4.544628e-11 ] [ 2.4380495e-10 9.606198000000001e-11 2.5919344e-10 ] [ 1.5928994e-10 2.0968195e-10 6.815304e-11 ] [ 1.5468415e-10 3.1123893e-10 2.7859288e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-06 -1e-07 4e-07 ] [ 4.3e-06 -4.5e-06 -2.6e-06 ] [ -3.2e-06 4.2e-06 -4.5e-06 ] [ 0.0 -1.6e-06 3.3e-06 ] [ 4e-07 2e-06 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.56348259328e-15 -1.6021766208e-16 6.408706483200001e-16 ] [ 6.889359469440001e-15 -7.2097947936e-15 -4.16565921408e-15 ] [ -5.126965186560001e-15 6.72914180736e-15 -7.2097947936e-15 ] [ 0.0 -2.56348259328e-15 5.28718284864e-15 ] [ 6.408706483200001e-16 3.2043532416e-15 5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.979559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.040860570289423e-18 } }