{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.8147974 -85.4610882 -20.0991872 ] [ 0.0879946 56.9591123 -12.8957937 ] [ 53.3308747 -31.8166944 9.414271 ] [ -64.407765 -42.2795717 -6.0321972 ] [ -11.6342573 -14.2710034 -24.6751136 ] [ -7.0465544 70.2291908 17.7295525 ] [ 45.4845049 46.6400546 36.5584682 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.533809865696863e-08 -1.369237575021668e-07 -3.220244782892261e-08 ] [ 1.409828908766477e-10 9.125855806858172e-08 -2.066133917279993e-08 ] [ 8.544548061115422e-08 -5.097596391881829e-08 1.508332489807543e-08 ] [ -1.031926152809805e-07 -6.773934131517731e-08 -9.664645325895222e-09 ] [ -1.864013504643173e-08 -2.286466800283731e-08 -3.953389012550412e-08 ] [ -1.128982471687537e-08 1.125195675974624e-07 2.84058745127462e-08 ] [ 7.287421035944304e-08 7.47256050729555e-08 5.857312304230026e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 32.040303 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.133422438994811e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4131149 2.0850605 2.88403 ] [ 2.5623604 4.7533166 3.4034646 ] [ 5.9904788 2.3521761 1.3937113 ] [ 3.3438582 2.7744696 0.4202714 ] [ 4.9124927 1.6862596 3.8033162 ] [ 4.8190897 5.0271043 1.5627659 ] [ 5.2089783 4.3310233 4.3769125 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4131149e-10 2.0850605e-10 2.88403e-10 ] [ 2.5623604e-10 4.7533166e-10 3.4034646e-10 ] [ 5.9904788e-10 2.3521761e-10 1.3937113e-10 ] [ 3.3438582e-10 2.7744696e-10 4.202714000000001e-11 ] [ 4.9124927e-10 1.6862596e-10 3.8033162e-10 ] [ 4.8190897e-10 5.027104300000001e-10 1.5627659e-10 ] [ 5.2089783e-10 4.3310233e-10 4.376912500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.13e-05 4.6e-06 1.9e-06 ] [ -1.43e-05 1.6e-05 1.66e-05 ] [ -1.79e-05 -3.2e-06 1.41e-05 ] [ -7e-07 -3.9e-06 -3.06e-05 ] [ 1.34e-05 4.7e-06 2.4e-06 ] [ 3.5e-06 -4.3e-06 -6.3e-06 ] [ -5.3e-06 -1.39e-05 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.412636202304e-14 7.370012455680001e-15 3.04413557952e-15 ] [ -2.291112567744e-14 2.56348259328e-14 2.659613190528e-14 ] [ -2.867896151232001e-14 -5.126965186560001e-15 2.259069035328e-14 ] [ -1.12152363456e-15 -6.24848882112e-15 -4.902660459647999e-14 ] [ 2.146916671872e-14 7.53023011776e-15 3.84522388992e-15 ] [ 5.6076181728e-15 -6.889359469440001e-15 -1.009371271104e-14 ] [ -8.491536090240001e-15 -2.227025502912e-14 3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.619169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143337389132412e-18 } }