{ "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" [ [ 0.5633223 0.534565 2.657113 ] [ 0.571871 1.718695 0.3060373 ] [ 0.67165 2.82724 1.843012 ] [ 2.670346 0.5025148 0.7068498 ] [ 2.297338 0.3834159 2.609917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.633223000000001e-11 5.34565e-11 2.657113e-10 ] [ 5.71871e-11 1.718695e-10 3.060373e-11 ] [ 6.7165e-11 2.82724e-10 1.843012e-10 ] [ 2.670346e-10 5.025148000000001e-11 7.068498e-11 ] [ 2.297338e-10 3.834159e-11 2.609917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.224219 2.1304377 -0.2168024 ] [ 0.1628121 -6.0374119 -6.8799734 ] [ 0.4254699 5.1185165 7.8301671 ] [ 1.4792134 0.7419137 -10.4401092 ] [ 16.1567237 -1.953456 9.7067179 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.919841761413916e-08 3.413337475010924e-09 -3.473557366133299e-10 ] [ 2.608537402033516e-10 -9.673000196319708e-09 -1.102293253320589e-08 ] [ 6.81677926634114e-10 8.200767469479044e-09 1.254531066457734e-08 ] [ 2.369961126654078e-09 1.188676784791225e-09 -1.672689887883899e-08 ] [ 2.588592498086527e-08 -3.129781532961485e-09 1.555187648408087e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.3151906007650513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.709344253241672e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0850393 0.5662287 2.4308878 ] [ 0.550226 1.4391846 0.279604 ] [ 1.0216125 2.6594105 2.2532596 ] [ 2.697365 0.4906926 0.4229672 ] [ 2.4202844 0.8109143 2.7362106 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.50393e-12 5.662287e-11 2.4308878e-10 ] [ 5.50226e-11 1.4391846e-10 2.79604e-11 ] [ 1.0216125e-10 2.6594105e-10 2.2532596e-10 ] [ 2.697365e-10 4.906926e-11 4.229672e-11 ] [ 2.4202844e-10 8.109143e-11 2.736210600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.12e-05 -1.61e-05 -2.15e-05 ] [ -1.09e-05 1.27e-05 -1.7e-06 ] [ -1.1e-06 1.24e-05 -4.6e-06 ] [ -1.89e-05 -8.2e-06 2.82e-05 ] [ 1.98e-05 -8e-07 -4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.794437815296e-14 -2.579504359488e-14 -3.44467973472e-14 ] [ -1.746372516672e-14 2.034764308416e-14 -2.72370025536e-15 ] [ -1.76239428288e-15 1.986699009792e-14 -7.370012455680001e-15 ] [ -3.028113813312e-14 -1.313784829056e-14 4.518138070656001e-14 ] [ 3.172309709184e-14 -1.28174129664e-15 -6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -5.092110399234951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.158460232186793e-19 } }