{ "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" [ [ 1.055832 0.6405486 1.855781 ] [ 0.890095 2.704191 1.463006 ] [ 2.442458 0.1179627 0.0087146 ] [ 2.783596 2.546667 0.3462901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.055832e-10 6.405486e-11 1.855781e-10 ] [ 8.90095e-11 2.704191e-10 1.463006e-10 ] [ 2.442458e-10 1.179627e-11 8.7146e-13 ] [ 2.783596e-10 2.546667e-10 3.462901e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5325577 -2.7590606 0.6095306 ] [ -0.637444 1.8699275 0.1518105 ] [ 0.1210787 1.7753965 0.6332618 ] [ 1.0489229 -0.8862634 -1.3946029 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.532515031967817e-10 -4.42050242511002e-09 9.765756850280003e-10 ] [ -1.021297882283496e-09 2.995954147774034e-09 2.43227235895857e-10 ] [ 1.939894640150958e-10 2.844498788385381e-09 1.014597259164781e-09 ] [ 1.680559761247518e-09 -1.419950511049395e-09 -2.234400180088638e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.197589 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.794051545293543e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8648144 0.4677696 1.7598975 ] [ 1.0151145 2.7551923 1.6005881 ] [ 2.5536345 0.2495726 0.2170217 ] [ 2.7384176 2.5368348 0.0962845 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.648144e-11 4.677696e-11 1.7598975e-10 ] [ 1.0151145e-10 2.7551923e-10 1.6005881e-10 ] [ 2.5536345e-10 2.495726e-11 2.170217e-11 ] [ 2.7384176e-10 2.5368348e-10 9.62845e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0004595 -0.0001786 0.000355 ] [ 0.0005921 -0.0004494 -0.0004648 ] [ 2.33e-05 0.0004459 3.64e-05 ] [ -0.0001559 0.0001821 7.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.362001633229999e-13 -2.861487468324e-13 5.6877270507e-13 ] [ 9.486487849914e-13 -7.200181793195999e-13 -7.446916994831999e-13 ] [ 3.733071557219999e-14 7.144105611005999e-13 5.831922947759999e-14 ] [ -2.497793372406e-13 2.917563650514e-13 1.175997649356e-13 ] ] } "relaxed-potential-energy" { "source-value" -11.755713 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.883472868461004e-18 } }