{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9813457 -5.6898719 -7.379037 ] [ -10.7717318 10.794737 -0.003594 ] [ 0.0153675 -7.6888378 2.9751968 ] [ -1.1682068 1.9749337 3.0336476 ] [ 8.2611085 -6.2986914 -4.5861903 ] [ 5.2370211 5.5829177 -1.3938504 ] [ 3.4077872 1.3248126 7.3538273 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.980995620662612e-09 -9.116179733526876e-09 -1.182252056541817e-08 ] [ -1.72582168554879e-08 1.729507524908473e-08 -5.7582227751552e-12 ] [ 2.4621449220144e-11 -1.231887616428331e-08 4.766790755238973e-09 ] [ -1.871673623219582e-09 3.164192601770041e-09 4.86043926046603e-09 ] [ 1.323575490059216e-08 -1.009161610271402e-08 -7.347886877199739e-09 ] [ 8.390632769056299e-09 8.944820214790508e-09 -2.233194523772728e-09 ] [ 5.459876980501495e-09 2.122583774661262e-09 1.178213017346079e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.5971968 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.537640433817658e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5191611 0.5489493 0.3820809 ] [ 1.7744367 2.296874 3.2896695 ] [ 2.3412359 -0.124706 2.9012526 ] [ 2.7328519 2.8462264 5.5159932 ] [ 4.725171 0.6671864 3.0623014 ] [ 3.6934182 2.4949883 1.6727557 ] [ 4.9460683 1.6238241 5.3454876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5191611e-10 5.489493e-11 3.820809e-11 ] [ 1.7744367e-10 2.296874e-10 3.2896695e-10 ] [ 2.3412359e-10 -1.24706e-11 2.9012526e-10 ] [ 2.7328519e-10 2.8462264e-10 5.5159932e-10 ] [ 4.725170999999999e-10 6.671864e-11 3.0623014e-10 ] [ 3.6934182e-10 2.4949883e-10 1.6727557e-10 ] [ 4.946068300000001e-10 1.6238241e-10 5.3454876e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.68e-05 1.04e-05 -9.8e-06 ] [ -7.9e-06 -1.48e-05 5.11e-05 ] [ -2.75e-05 -5.8e-06 3.05e-05 ] [ -3.64e-05 1.75e-05 2.09e-05 ] [ 2.8e-05 -1.46e-05 -5.2e-06 ] [ 4.17e-05 9.5e-06 -3.17e-05 ] [ -1.46e-05 -2.2e-06 -5.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.691656722944e-14 1.666263685632e-14 -1.570133088384e-14 ] [ -1.265719530432e-14 -2.371221398784e-14 8.187122532288001e-14 ] [ -4.4059857072e-14 -9.292624400640001e-15 4.88663869344e-14 ] [ -5.831922899712e-14 2.8038090864e-14 3.348549137472e-14 ] [ 4.48609453824e-14 -2.339177866368e-14 -8.33131842816e-15 ] [ 6.681076508736e-14 1.52206778976e-14 -5.078899887936e-14 ] [ -2.339177866368e-14 -3.52478856576e-15 -8.940145544064e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.156719 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.229462393383516e-18 } }