{ "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" [ [ 0.9136055 0.1992462 0.0711002 ] [ 0.7203108 0.3740979 2.589381 ] [ 1.027468 2.872573 2.429267 ] [ 2.566191 2.896163 0.5924317 ] [ 2.633567 2.125326 2.686178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.136055e-11 1.992462e-11 7.11002e-12 ] [ 7.203108000000001e-11 3.740979e-11 2.589381e-10 ] [ 1.027468e-10 2.872573e-10 2.429267e-10 ] [ 2.566191e-10 2.896163e-10 5.924317e-11 ] [ 2.633567e-10 2.125326e-10 2.686178e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1819334 -0.0628441 1.4149024 ] [ 1.62347 3.8327985 -1.6678798 ] [ -26.3131526 9.8631671 -5.5423539 ] [ -1.2066271 0.2809065 0.8005843 ] [ 26.0782432 -13.914028 4.9947469 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.914894400226548e-10 -1.006873477752173e-10 2.26692354599381e-09 ] [ 2.601085678570176e-09 6.140820148937309e-09 -2.67223802186458e-09 ] [ -4.215831791526273e-08 1.580253573466374e-08 -8.879829842779701e-09 ] [ -1.933229729643704e-09 4.500618269307552e-10 1.282677448439534e-09 ] [ 4.178195156657658e-08 -2.229273036275658e-08 8.002466709993276e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1827772 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.905901081455287e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4868232 -0.5902975 0.3863686 ] [ 0.8148945 0.5988412 2.3502269 ] [ 0.7807066 2.95475 2.0020473 ] [ 2.8624689 3.7849472 1.2362822 ] [ 2.9162491 1.7191652 2.3934329 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.868232e-11 -5.902975e-11 3.863686000000001e-11 ] [ 8.148945e-11 5.988412e-11 2.3502269e-10 ] [ 7.807066e-11 2.954750000000001e-10 2.0020473e-10 ] [ 2.8624689e-10 3.7849472e-10 1.2362822e-10 ] [ 2.9162491e-10 1.7191652e-10 2.3934329e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.03e-05 -1.13e-05 -2.96e-05 ] [ 1.35e-05 5.09e-05 -1.5e-06 ] [ -1.77e-05 -2.38e-05 1.92e-05 ] [ -7.9e-06 1.2e-05 -3.77e-05 ] [ 2.24e-05 -2.78e-05 4.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.650241919424e-14 -1.810459581504e-14 -4.742442797568e-14 ] [ 2.16293843808e-14 8.155078999872e-14 -2.4032649312e-15 ] [ -2.835852618816e-14 -3.813180357504e-14 3.076179111936e-14 ] [ -1.265719530432e-14 1.92261194496e-14 -6.040205860416e-14 ] [ 3.588875630592e-14 -4.454051005824e-14 7.946796039168e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.66451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.029078183588781e-18 } }