{ "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" [ [ 2.488897 2.770028 3.014921 ] [ 0.2049674 2.791914 3.698619 ] [ 0.8141582 3.850123 1.870554 ] [ 0.3012674 5.24423 3.479153 ] [ 2.657762 5.04937 3.20133 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.488897e-10 2.770028e-10 3.014921e-10 ] [ 2.049674e-11 2.791914e-10 3.698619e-10 ] [ 8.141582e-11 3.850123e-10 1.870554e-10 ] [ 3.012674e-11 5.244230000000001e-10 3.479153e-10 ] [ 2.657762e-10 5.04937e-10 3.20133e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.6173959 -5.2261188 -0.2296004 ] [ -7.8411708 -10.0260481 8.1405707 ] [ -3.9714104 -1.6824451 -15.1614243 ] [ -3.0622108 10.2150288 3.7803003 ] [ 7.2573961 6.7195832 3.4701538 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.22044137229074e-08 -8.373165427868118e-09 -3.678603960370536e-10 ] [ -1.256294063896309e-08 -1.60634999971801e-08 1.304263216296502e-08 ] [ -6.362900946904593e-09 -2.695574227207793e-09 -2.42912797516198e-08 ] [ -4.906202592142447e-09 1.636628045899706e-08 6.05670881016319e-09 ] [ 1.162763045510273e-08 1.076595919325895e-08 5.559799334746308e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.0169934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.038109598412214e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0268044 2.9432034 2.9149393 ] [ 0.8303359 1.6358808 4.5298782 ] [ 0.3177718 3.8550903 1.361462 ] [ 0.7649119 6.1596133 2.442428 ] [ 2.527228 5.1118772 4.0158695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0268044e-10 2.9432034e-10 2.9149393e-10 ] [ 8.303359e-11 1.6358808e-10 4.5298782e-10 ] [ 3.177718e-11 3.8550903e-10 1.361462e-10 ] [ 7.649119e-11 6.1596133e-10 2.442428e-10 ] [ 2.527228e-10 5.1118772e-10 4.0158695e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.15e-05 9.6e-06 2.43e-05 ] [ -1.58e-05 -1.06e-05 -1.45e-05 ] [ -5.3e-06 3.1e-06 1.24e-05 ] [ -1.01e-05 1e-06 -7.5e-06 ] [ 9.8e-06 -3.1e-06 -1.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.4446797631e-14 1.53808956864e-14 3.893289220619999e-14 ] [ -2.53143908172e-14 -1.69830723204e-14 -2.3231561193e-14 ] [ -8.4915361602e-15 4.9667475654e-15 1.98669902616e-14 ] [ -1.61819840034e-14 1.602176634e-15 -1.2016324755e-14 ] [ 1.57013310132e-14 -4.9667475654e-15 -2.35519965198e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.90107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227196954159838e-18 } }