{ "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" [ [ 0.7607129 0.1029019 2.480933 ] [ 0.9158836 2.552597 0.2381701 ] [ 0.8989231 2.268448 2.632769 ] [ 2.109562 0.2713555 0.0459784 ] [ 2.969591 1.985029 0.1686784 ] [ 2.973458 2.362165 2.304699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.607129000000001e-11 1.029019e-11 2.480933e-10 ] [ 9.158836e-11 2.552597e-10 2.381701e-11 ] [ 8.989231e-11 2.268448e-10 2.632769e-10 ] [ 2.109562e-10 2.713555e-11 4.59784e-12 ] [ 2.969591e-10 1.985029e-10 1.686784e-11 ] [ 2.973458e-10 2.362165e-10 2.304699e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6452213 -1.8125926 -1.952976 ] [ -5.344965 2.1071785 -0.2183293 ] [ -3.6014826 1.5720326 0.1961172 ] [ -5.4707819 -11.1422069 0.7928054 ] [ 8.7315589 8.3474593 -1.282862 ] [ 5.0404492 0.9281291 2.4652447 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.033758482102183e-09 -2.904093486755086e-09 -3.129012488183501e-09 ] [ -8.563577961994273e-09 3.376072128552413e-09 -3.498021000956294e-10 ] [ -5.770211221937999e-09 2.518673878855438e-09 3.142143927767577e-10 ] [ -8.765158857675804e-09 -1.785178339929644e-08 1.270214276723992e-09 ] [ 1.398949953271817e-08 1.337410413353953e-08 -2.05537150411273e-09 ] [ 8.075689866570064e-09 1.487026745104145e-09 3.94975742289111e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.379493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.303848750355726e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.863535 -0.0420363 2.2504103 ] [ 0.7935248 2.4925376 0.2385895 ] [ 0.8924671 2.2461197 2.5635376 ] [ 1.6883548 0.1747345 0.1252994 ] [ 3.2311144 1.998883 0.2529862 ] [ 3.1591345 2.6722579 2.4404049 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.635350000000001e-11 -4.20363e-12 2.2504103e-10 ] [ 7.935248e-11 2.4925376e-10 2.385895e-11 ] [ 8.924671e-11 2.2461197e-10 2.5635376e-10 ] [ 1.6883548e-10 1.747345e-11 1.252994e-11 ] [ 3.2311144e-10 1.998883e-10 2.529862e-11 ] [ 3.1591345e-10 2.6722579e-10 2.4404049e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.3e-06 4.5e-06 -1.9e-05 ] [ 1.18e-05 -8.4e-06 -4.18e-05 ] [ -2.37e-05 -4.2e-06 6.39e-05 ] [ -2.37e-05 -1.19e-05 1.39e-05 ] [ 2.13e-05 2.55e-05 1.26e-05 ] [ 9e-06 -5.6e-06 -2.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.491536090240001e-15 7.2097947936e-15 -3.04413557952e-14 ] [ 1.890568412544e-14 -1.345828361472e-14 -6.697098274944e-14 ] [ -3.797158591296e-14 -6.72914180736e-15 1.0237908606912e-13 ] [ -3.797158591296e-14 -1.906590178752e-14 2.227025502912e-14 ] [ 3.412636202304e-14 4.08555038304e-14 2.018742542208e-14 ] [ 1.44195895872e-14 -8.972189076479999e-15 -4.72642103136e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.373205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.943711950016567e-18 } }