{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8875103 -1.2643708 -3.4262453 ] [ -0.8677912 -0.406407 -0.1240284 ] [ 2.254838 -0.8674665 2.2328706 ] [ -2.0033877 1.4610121 -0.8140256 ] [ 1.5023259 0.0677456 -0.8107715 ] [ -0.1337674 -2.2510008 2.5980926 ] [ 1.1352927 3.2604874 0.3441076 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.024124874179194e-09 -2.025745335782193e-09 -5.489450116785883e-09 ] [ -1.390354772375977e-09 -6.511357939294657e-10 -1.987154027952307e-10 ] [ 3.61264872729143e-09 -1.389834545627203e-09 3.577453072591669e-09 ] [ -3.209780935338285e-09 2.340799429325912e-09 -1.304212785052693e-09 ] [ 2.406991433802319e-09 1.085404164820685e-10 -1.298999142110947e-09 ] [ -2.143190009052019e-10 -3.606500855162097e-09 4.162603222393486e-09 ] [ 1.818939421704908e-09 5.223876684692978e-09 5.513211517595981e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.024471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.56740327968876e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4848601 2.8160944 1.0180416 ] [ 1.3281286 1.9991027 2.8879394 ] [ 3.5701039 3.538702 4.8401998 ] [ 1.4883161 4.1562751 3.7951315 ] [ 4.5666586 2.1985238 2.0631001 ] [ 3.3736067 1.3922999 3.9147748 ] [ 3.6621388 4.5671911 2.4861729 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4848601e-10 2.8160944e-10 1.0180416e-10 ] [ 1.3281286e-10 1.9991027e-10 2.8879394e-10 ] [ 3.5701039e-10 3.538702e-10 4.8401998e-10 ] [ 1.4883161e-10 4.1562751e-10 3.7951315e-10 ] [ 4.566658600000001e-10 2.1985238e-10 2.0631001e-10 ] [ 3.3736067e-10 1.3922999e-10 3.9147748e-10 ] [ 3.6621388e-10 4.5671911e-10 2.4861729e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.95e-05 1.52e-05 -3.17e-05 ] [ -2.15e-05 -1.23e-05 2.56e-05 ] [ 1.28e-05 -1.77e-05 7.7e-06 ] [ -1.18e-05 -9.5e-06 -1.7e-06 ] [ -2.99e-05 4.7e-06 1.24e-05 ] [ 1.03e-05 1.43e-05 5.1e-06 ] [ 1.04e-05 5.2e-06 -1.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.72642103136e-14 2.435308463616e-14 -5.078899887936e-14 ] [ -3.44467973472e-14 -1.970677243584e-14 4.101572149248001e-14 ] [ 2.050786074624e-14 -2.835852618816e-14 1.233675998016e-14 ] [ -1.890568412544e-14 -1.52206778976e-14 -2.72370025536e-15 ] [ -4.790508096192e-14 7.53023011776e-15 1.986699009792e-14 ] [ 1.650241919424e-14 2.291112567744e-14 8.17110076608e-15 ] [ 1.666263685632e-14 8.33131842816e-15 -2.787787320192e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.320543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.93527456749611e-18 } }