{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5909212 -2.4921702 3.9532278 ] [ -5.1843387 8.012828 -2.7626475 ] [ 8.2833354 -2.5777863 -2.1092043 ] [ 10.4980124 7.7395889 3.1845314 ] [ -9.7640067 -5.8663719 -11.944228 ] [ -3.1869544 -5.9453725 7.2401157 ] [ 0.9448731 1.1292839 2.4382049 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.548936752175081e-09 -3.992896829494461e-09 6.333769157856618e-09 ] [ -8.306226259448664e-09 1.283796568809162e-08 -4.426249236011568e-09 ] [ 1.327136632012502e-08 -4.130068943278536e-09 -3.37931781795083e-09 ] [ 1.68196700321485e-08 1.240018839018319e-08 5.102181757283493e-09 ] [ -1.564366326007456e-08 -9.398963907098075e-09 -1.913676285510474e-08 ] [ -5.106063831235692e-09 -9.52553682144725e-09 1.159994410642703e-08 ] [ 1.513853590442821e-09 1.809312262825845e-09 3.906434887500002e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 3.8758144 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.20973921823998e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3692855 1.9162419 4.9985187 ] [ 2.1692193 4.0037393 2.2957099 ] [ 5.3856688 0.9347127 2.9335974 ] [ 5.3556902 2.9621479 2.7466873 ] [ 2.3931143 2.2031031 1.4615869 ] [ 3.5876482 0.3013948 4.0903429 ] [ 3.4281017 3.6268873 5.1427349 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3692855e-10 1.9162419e-10 4.9985187e-10 ] [ 2.1692193e-10 4.003739300000001e-10 2.2957099e-10 ] [ 5.385668800000001e-10 9.347127e-11 2.9335974e-10 ] [ 5.3556902e-10 2.9621479e-10 2.7466873e-10 ] [ 2.3931143e-10 2.2031031e-10 1.4615869e-10 ] [ 3.5876482e-10 3.013948e-11 4.0903429e-10 ] [ 3.4281017e-10 3.6268873e-10 5.1427349e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0393608 -0.6211318 1.5430435 ] [ -0.0619014 -1.8597469 0.1591678 ] [ 1.0875808 0.2039476 1.3545883 ] [ -0.6317525 -1.3379405 0.3615013 ] [ -1.007346 1.9157088 -1.6377376 ] [ -0.0184562 1.223735 -1.1831668 ] [ 0.6712362 0.4754277 -0.5973965 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.306295353598465e-11 -9.951628483954216e-10 2.472228220577405e-09 ] [ -9.917697587478911e-11 -2.979643003785276e-09 2.550149279441703e-10 ] [ 1.742496530990961e-09 3.267600765882701e-10 2.170289705069217e-09 ] [ -1.012179085631952e-09 -2.143616989121462e-09 5.791889312488071e-10 ] [ -1.613946210256397e-09 3.069303851620823e-09 -2.623944893725102e-09 ] [ -2.957009214880896e-11 1.960639607054688e-09 -1.895642185466749e-09 ] [ 1.075438946674633e-09 7.617191458207161e-10 -9.571347056477473e-10 ] ] } "relaxed-potential-energy" { "source-value" -27.570397 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.417264549957446e-18 } }