{ "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" [ [ 2.301375 1.527111 2.019819 ] [ 1.794175 5.106546 1.47688 ] [ 0.9503771 3.237781 1.232452 ] [ 3.392468 3.669062 0.7528338 ] [ 3.101246 3.595776 2.776891 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.301375e-10 1.527111e-10 2.019819e-10 ] [ 1.794175e-10 5.106546e-10 1.47688e-10 ] [ 9.503771e-11 3.237781e-10 1.232452e-10 ] [ 3.392468e-10 3.669062e-10 7.528338e-11 ] [ 3.101246e-10 3.595776e-10 2.776891e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1617938 1.5428193 -0.8665486 ] [ 1.9575551 4.6760352 1.0746456 ] [ -0.9723509 -4.0974299 -0.5660509 ] [ -0.3825327 -2.0360834 -5.6808558 ] [ -1.7644652 -0.0853411 6.0388097 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.861398879886069e-09 2.471869032944236e-09 -1.388363919145412e-09 ] [ 3.136349040987533e-09 7.491834337201517e-09 1.72177207015091e-09 ] [ -1.55787789202887e-09 -6.564806445232956e-09 -9.069135256346706e-10 ] [ -6.128849536809318e-10 -3.262165248355275e-09 -9.101734423883375e-09 ] [ -2.826984914946137e-09 -1.367315163398574e-10 9.67523979851255e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.610564 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.981741078636157e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4232865 1.6736676 2.0043871 ] [ 1.894909 5.1713777 1.6388784 ] [ 0.9330414 3.1531585 1.0163468 ] [ 3.1771955 3.4548946 0.6596751 ] [ 3.1112087 3.6831776 2.9395884 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4232865e-10 1.6736676e-10 2.0043871e-10 ] [ 1.894909e-10 5.1713777e-10 1.6388784e-10 ] [ 9.330414e-11 3.1531585e-10 1.0163468e-10 ] [ 3.1771955e-10 3.4548946e-10 6.596751e-11 ] [ 3.1112087e-10 3.6831776e-10 2.9395884e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.9e-06 -8.1e-06 4.88e-05 ] [ 2.76e-05 6.3e-06 4.07e-05 ] [ 0.0002011 3.25e-05 0.0001082 ] [ -4.96e-05 1.49e-05 1.01e-05 ] [ -0.000188 -4.56e-05 -0.0002077 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.42593720426e-14 -1.29776307354e-14 7.818621973919999e-14 ] [ 4.42200750984e-14 1.00937127942e-14 6.520858900379999e-14 ] [ 3.221977210974e-13 5.207074060499999e-14 1.733555117988e-13 ] [ -7.94679610464e-14 2.38724318466e-14 1.61819840034e-14 ] [ -3.012092071919999e-13 -7.30592545104e-14 -3.327720868818e-13 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247335191657e-18 } }