{ "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" [ [ 3.095423 1.998262 0.8352723 ] [ 3.003915 2.107064 3.861401 ] [ 2.921301 4.877628 0.9226955 ] [ 1.839297 3.508607 2.236053 ] [ 4.200263 0.9739816 2.537715 ] [ 4.333089 3.298954 2.357847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.095423e-10 1.998262e-10 8.352723e-11 ] [ 3.003915e-10 2.107064e-10 3.861401e-10 ] [ 2.921301e-10 4.877627999999999e-10 9.226955000000001e-11 ] [ 1.839297e-10 3.508607e-10 2.236053e-10 ] [ 4.200263e-10 9.739816e-11 2.537715e-10 ] [ 4.333089e-10 3.298954000000001e-10 2.357847e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7194919 -3.185335 -6.5044247 ] [ -1.776435 0.0545298 6.5280352 ] [ 0.3407765 3.4776721 -1.3366406 ] [ -5.0392984 1.261799 0.9022628 ] [ 2.6405652 -4.3807771 -0.1035177 ] [ 4.5538836 2.7721111 0.514285 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.152753101034972e-09 -5.103469266415968e-09 -1.042123718609406e-08 ] [ -2.846162625370848e-09 8.736637069689985e-11 1.045906537719945e-08 ] [ 5.459841412180512e-10 5.57184493342844e-09 -2.141534319732084e-09 ] [ -8.073846081714846e-09 2.021624857948819e-09 1.445584363977546e-09 ] [ 4.230651829138076e-09 -7.018778650556025e-09 -1.658536387789882e-10 ] [ 7.296125837764539e-09 4.44141159468017e-09 8.23975403428128e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.423057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.669957824266579e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5805044 1.3837361 0.7377244 ] [ 2.504531 2.120059 3.9568208 ] [ 3.2053168 4.8993432 1.6430018 ] [ 1.5575578 3.2284717 1.9862817 ] [ 4.3320138 1.4910394 2.4491702 ] [ 5.2133642 3.6418472 1.9779849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5805044e-10 1.3837361e-10 7.377244e-11 ] [ 2.504531e-10 2.120059e-10 3.9568208e-10 ] [ 3.2053168e-10 4.8993432e-10 1.6430018e-10 ] [ 1.5575578e-10 3.2284717e-10 1.9862817e-10 ] [ 4.332013800000001e-10 1.4910394e-10 2.4491702e-10 ] [ 5.213364200000001e-10 3.6418472e-10 1.9779849e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.8e-06 4.13e-05 5.42e-05 ] [ 2.84e-05 -1.7e-06 -8.76e-05 ] [ 6.6e-06 1.25e-05 -2.87e-05 ] [ -1.42e-05 -4.86e-05 2.57e-05 ] [ -3.46e-05 -1.36e-05 1.4e-05 ] [ 2.06e-05 1.01e-05 2.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.089480102144e-14 6.616989443904001e-14 8.683797284736e-14 ] [ 4.550181603071999e-14 -2.72370025536e-15 -1.4035067198208e-13 ] [ 1.057436569728e-14 2.002720776e-14 -4.598246901696e-14 ] [ -2.275090801536e-14 -7.786578377088e-14 4.117593915456e-14 ] [ -5.543531107968001e-14 -2.178960204288e-14 2.24304726912e-14 ] [ 3.300483838848e-14 1.618198387008e-14 3.604897396800001e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }