{ "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" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1958003 -2.6335122 -3.217372 ] [ 7.1540477 3.6781549 2.1275615 ] [ -11.2863905 9.4878654 5.6241219 ] [ 7.1661625 2.8740564 -16.147029 ] [ 8.2382807 -12.093854 9.0771808 ] [ -9.0763001 -1.3127105 2.5355367 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.518059904605626e-09 -4.219351677431574e-09 -5.154798198816539e-09 ] [ 1.146204796902801e-08 5.893053788460962e-09 3.408729294614179e-09 ] [ -1.808279099231922e-08 1.520123612517724e-08 9.010836620709275e-09 ] [ 1.148145801835368e-08 4.604745970940614e-09 -2.58703923591796e-08 ] [ 1.319918073312786e-08 -1.937649013416856e-08 1.454324686053464e-08 ] [ -1.45418358235847e-08 -2.103194072978678e-09 4.062377621920384e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.1921418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.51219834143843e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8517064 -0.2139322 0.657801 ] [ 0.6132218 0.1856227 3.150056 ] [ 0.1386077 2.0633909 1.5140362 ] [ 2.4391931 1.756058 0.4938838 ] [ 2.9138042 -0.1217134 2.1299091 ] [ 2.2007107 2.1556151 2.9861376 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.517064e-11 -2.139322e-11 6.57801e-11 ] [ 6.132218e-11 1.856227e-11 3.150056e-10 ] [ 1.386077e-11 2.0633909e-10 1.5140362e-10 ] [ 2.4391931e-10 1.756058e-10 4.938838e-11 ] [ 2.9138042e-10 -1.217134e-11 2.1299091e-10 ] [ 2.2007107e-10 2.1556151e-10 2.9861376e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.16e-05 3.6e-06 1.26e-05 ] [ 1.9e-06 2e-07 1.61e-05 ] [ 3.11e-05 1.47e-05 -1.18e-05 ] [ -1.63e-05 -1.67e-05 3.96e-05 ] [ -5.4e-06 3.42e-05 -2.58e-05 ] [ -2.28e-05 -3.6e-05 -3.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.858524880128e-14 5.76783583488e-15 2.018742542208e-14 ] [ 3.04413557952e-15 3.2043532416e-16 2.579504359488e-14 ] [ 4.982769290688e-14 2.355199632576e-14 -1.890568412544e-14 ] [ -2.611547891904e-14 -2.675634956736e-14 6.344619418368e-14 ] [ -8.65175375232e-15 5.479444043136e-14 -4.133615681664e-14 ] [ -3.652962695424e-14 -5.76783583488e-14 -4.918682225856e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.869792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.503926944415888e-18 } }