{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5334674 -0.962165 -1.3555522 ] [ 0.4452923 -0.1619802 1.0828618 ] [ 0.1482095 0.5262765 -0.0478748 ] [ -1.4595239 1.2788627 0.343094 ] [ 0.3325548 -0.680994 -0.0225288 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.547090032807315e-10 -1.54155828105261e-09 -2.171834061007294e-09 ] [ 7.134369183601181e-10 -2.595208916106468e-10 1.734935873811181e-09 ] [ 2.37457797836823e-10 8.43187911323301e-10 -7.67038859174232e-11 ] [ -2.338415089344552e-09 2.048963936034151e-09 5.49697190065596e-10 ] [ 5.328115300845431e-10 -1.091072674694196e-09 -3.60951169520592e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -12.14831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.946373842458854e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0794391 1.6997437 1.8728517 ] [ 2.0716433 2.2451729 4.2031602 ] [ 2.1089934 3.9957181 2.5715846 ] [ 4.0199485 1.2657103 3.2169538 ] [ 4.0495236 3.561686 3.9156736 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0794391e-10 1.6997437e-10 1.8728517e-10 ] [ 2.0716433e-10 2.2451729e-10 4.2031602e-10 ] [ 2.1089934e-10 3.9957181e-10 2.5715846e-10 ] [ 4.0199485e-10 1.2657103e-10 3.2169538e-10 ] [ 4.0495236e-10 3.561686e-10 3.9156736e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.43e-05 7.6e-06 1.09e-05 ] [ 6.3e-06 1.6e-06 -2.4e-05 ] [ 1.52e-05 -4e-06 5.8e-06 ] [ 2.32e-05 -1.39e-05 6e-06 ] [ -2.05e-05 8.8e-06 1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.893289220619999e-14 1.21765424184e-14 1.74637253106e-14 ] [ 1.00937127942e-14 2.5634826144e-15 -3.8452239216e-14 ] [ 2.43530848368e-14 -6.408706535999999e-15 9.2926244772e-15 ] [ 3.71704979088e-14 -2.22702552126e-14 9.613059803999999e-15 ] [ -3.2844620997e-14 1.40991543792e-14 2.2430472876e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.13731965152234e-18 } }