{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.101107 2.382088 1.155059 ] [ 1.870329 4.675053 0.5879216 ] [ 2.558831 4.133121 3.113399 ] [ 4.446179 2.802067 2.809564 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.101107e-10 2.382088e-10 1.155059e-10 ] [ 1.870329e-10 4.675053e-10 5.879216e-11 ] [ 2.558831e-10 4.133121e-10 3.113399e-10 ] [ 4.446179e-10 2.802067e-10 2.809564e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4323508 1.2772414 1.7650337 ] [ 0.3046841 -0.4373241 1.316446 ] [ -0.2558699 -0.7933231 -2.3342943 ] [ -1.481165 -0.0465942 -0.7471854 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.294878964544177e-09 2.046366310197861e-09 2.827895729064121e-09 ] [ 4.881577417494893e-10 -7.006704487324013e-10 2.109179003745677e-09 ] [ -4.099487717464339e-10 -1.27104372356058e-09 -3.739951753526701e-09 ] [ -2.373087934547232e-09 -7.465213790487938e-11 -1.197122979283096e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4986865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.361639681780858e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4189179 2.4217586 1.2377588 ] [ 1.7709705 4.649944 0.7348036 ] [ 2.5446481 4.2841113 2.9495718 ] [ 4.2419095 2.6365151 2.7438094 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4189179e-10 2.4217586e-10 1.2377588e-10 ] [ 1.7709705e-10 4.649944e-10 7.348036e-11 ] [ 2.5446481e-10 4.2841113e-10 2.9495718e-10 ] [ 4.241909500000001e-10 2.6365151e-10 2.7438094e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.9e-06 -2.9e-06 -1.1e-06 ] [ 5e-06 4e-07 -1.6e-06 ] [ -5.4e-06 1e-06 4e-06 ] [ 7.3e-06 1.5e-06 -1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.105501868352e-14 -4.646312200320001e-15 -1.76239428288e-15 ] [ 8.010883104e-15 6.408706483200001e-16 -2.56348259328e-15 ] [ -8.65175375232e-15 1.6021766208e-15 6.4087064832e-15 ] [ 1.169588933184e-14 2.4032649312e-15 -2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.026357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.606399477719443e-18 } }