{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7486818 -3.9402797 1.1079692 ] [ -5.2284273 0.8555855 1.5593673 ] [ -4.7039006 -4.0327379 -2.9295141 ] [ 2.6775713 -1.2573392 0.5895871 ] [ 2.611516 -2.3358813 0.7918908 ] [ 6.8089529 3.8280301 -2.1859332 ] [ 2.5829695 6.8826225 1.0666329 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.60822702226106e-09 -6.313024066764529e-09 1.775162363431673e-09 ] [ -8.376864052627706e-09 1.370799096489207e-09 2.498381851883668e-09 ] [ -7.53647962997858e-09 -6.461158434426228e-09 -4.693599039993539e-09 ] [ 4.289942172729004e-09 -2.014479487252253e-09 9.446226753278214e-10 ] [ 4.184109914517143e-09 -3.742494438657544e-09 1.268748936439567e-09 ] [ 1.090914523838654e-08 6.133180380468682e-09 -3.502251096524849e-09 ] [ 4.138373379234663e-09 1.102717695014266e-08 1.708934309435658e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.132867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.104117264482968e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5104245 2.6701239 0.4026222 ] [ 1.6613667 5.0189443 1.2447626 ] [ 2.0413173 3.025121 2.9262431 ] [ 4.9673767 2.4917858 0.9789052 ] [ 4.5315951 2.8215606 3.3232426 ] [ 4.1518116 4.817048 0.4057201 ] [ 3.6827031 5.1720403 2.9293429 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5104245e-10 2.6701239e-10 4.026222e-11 ] [ 1.6613667e-10 5.0189443e-10 1.2447626e-10 ] [ 2.0413173e-10 3.025121e-10 2.9262431e-10 ] [ 4.9673767e-10 2.4917858e-10 9.789052e-11 ] [ 4.5315951e-10 2.8215606e-10 3.3232426e-10 ] [ 4.151811600000001e-10 4.817048e-10 4.057201e-11 ] [ 3.6827031e-10 5.1720403e-10 2.9293429e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.45e-05 1.81e-05 -6.4e-06 ] [ -7.6e-06 3e-06 -5.8e-06 ] [ -3.5e-06 -2.07e-05 -9.4e-06 ] [ -1.39e-05 1.4e-05 6.5e-06 ] [ 1.3e-06 2.4e-06 9.9e-06 ] [ -2.03e-05 -2.79e-05 7.8e-06 ] [ 2.94e-05 1.13e-05 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.3231561193e-14 2.899939707539999e-14 -1.02539304576e-14 ] [ -1.21765424184e-14 4.806529901999999e-15 -9.2926244772e-15 ] [ -5.607618218999999e-15 -3.316505632379999e-14 -1.50604603596e-14 ] [ -2.22702552126e-14 2.243047287599999e-14 1.0414148121e-14 ] [ 2.0828296242e-15 3.845223921599999e-15 1.58615486766e-14 ] [ -3.252418567019999e-14 -4.470072808859999e-14 1.24969777452e-14 ] [ 4.710399303959999e-14 1.81045959642e-14 -4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.023701 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.727497596640243e-18 } }