{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8129566 -0.3898193 0.1870935 ] [ 1.1192779 -0.2531665 -1.0396019 ] [ -1.9437539 1.9506009 1.1057235 ] [ 5.525277 -14.2498037 -5.6557437 ] [ -0.9005752 -3.917639 5.9517049 ] [ -2.5356764 18.0399028 2.1761132 ] [ -2.077506 -1.1800751 -2.7252896 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.302500058245057e-09 -6.245593687966214e-10 2.997568316036448e-10 ] [ 1.79328088355812e-09 -4.056174474697632e-10 -1.66562585911926e-09 ] [ -3.114237055168821e-09 3.125207158491438e-09 1.771564340769149e-09 ] [ 8.852469632843962e-09 -2.283070233912934e-08 -9.06150032937689e-09 ] [ -1.442880530712284e-09 -6.276749614534291e-09 9.535682444680803e-09 ] [ -4.062601445994309e-09 2.890311050766446e-08 3.486517693254275e-09 ] [ -3.328531542771725e-09 -1.890688736008222e-09 -4.366395282029384e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.003792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.564090138654608e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2353458 1.4876331 0.7317778 ] [ 2.9238706 0.8740573 2.8929534 ] [ 2.1784162 3.2671083 3.09631 ] [ 4.8748032 2.1641874 1.9723586 ] [ 4.1828278 2.4672827 4.3541303 ] [ 4.3727967 4.4396976 2.8743261 ] [ 3.1895698 3.6329406 0.8231036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2353458e-10 1.4876331e-10 7.317778000000001e-11 ] [ 2.9238706e-10 8.740573e-11 2.8929534e-10 ] [ 2.1784162e-10 3.2671083e-10 3.09631e-10 ] [ 4.8748032e-10 2.1641874e-10 1.9723586e-10 ] [ 4.1828278e-10 2.4672827e-10 4.3541303e-10 ] [ 4.3727967e-10 4.4396976e-10 2.874326100000001e-10 ] [ 3.1895698e-10 3.6329406e-10 8.231036000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.17e-05 0.0001114 0.0001311 ] [ 5.27e-05 0.0001532 5.31e-05 ] [ 0.0001538 -0.0001168 -0.0001668 ] [ -6.17e-05 6.11e-05 0.000143 ] [ -3.8e-05 6.25e-05 -0.0002854 ] [ -0.0001434 -0.0002905 -2.41e-05 ] [ 2.49e-05 1.91e-05 0.000149 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.874546646336e-14 1.7848247555712e-13 2.1004535498688e-13 ] [ 8.443470791616e-14 2.4545345830656e-13 8.507557856448001e-14 ] [ 2.4641476427904e-13 -1.8713422930944e-13 -2.6724306034944e-13 ] [ -9.885429750336e-14 9.789299153088e-14 2.291112567744e-13 ] [ -6.08827115904e-14 1.001360388e-13 -4.5726120757632e-13 ] [ -2.2975212742272e-13 -4.654323083424e-13 -3.861245656128e-14 ] [ 3.989419785791999e-14 3.060157345728e-14 2.387243164992e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.205038 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.397421612677559e-18 } }