{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.742286 2.30018 2.898395 ] [ 1.359684 3.93311 2.87757 ] [ 2.145194 3.5026 4.929711 ] [ 3.276834 4.602113 2.280609 ] [ 3.311324 5.492688 4.465054 ] [ 4.684796 3.351118 3.565163 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.742286e-10 2.30018e-10 2.898395e-10 ] [ 1.359684e-10 3.93311e-10 2.87757e-10 ] [ 2.145194e-10 3.5026e-10 4.929711e-10 ] [ 3.276834e-10 4.602113e-10 2.280609e-10 ] [ 3.311324e-10 5.492688e-10 4.465054e-10 ] [ 4.684796000000001e-10 3.351118e-10 3.565163e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0590514 -2.4277871 -0.0355728 ] [ -3.9568634 0.9058077 -0.3786001 ] [ -0.003179 -0.2004746 1.7319118 ] [ 2.1005164 2.0497555 -1.9066724 ] [ 0.3179362 -0.4113952 0.0116716 ] [ 0.4825384 0.0840937 0.5772619 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.696787393305509e-09 -3.889743731899832e-09 -5.699390849639424e-11 ] [ -6.339594031179199e-09 1.45126391988062e-09 -6.065842288525421e-10 ] [ -5.0933194775232e-12 -3.211957171842317e-10 2.774828595247646e-09 ] [ 3.365398267686981e-09 3.284070340456214e-09 -3.054825942804626e-09 ] [ 5.093899465459929e-10 -6.591277713493402e-10 1.869996464732928e-11 ] [ 7.731117431182387e-10 1.34732960096569e-10 9.248755202585875e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.351455 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.780009553786327e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8182796 2.0685141 3.4678189 ] [ 1.3876244 3.7449439 2.5690967 ] [ 1.8155261 3.6751539 4.9093778 ] [ 3.2133807 5.1464687 2.2770671 ] [ 3.6412759 5.0766859 4.6173532 ] [ 4.6440312 3.4700426 3.1757882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8182796e-10 2.0685141e-10 3.4678189e-10 ] [ 1.3876244e-10 3.7449439e-10 2.5690967e-10 ] [ 1.8155261e-10 3.6751539e-10 4.9093778e-10 ] [ 3.2133807e-10 5.1464687e-10 2.2770671e-10 ] [ 3.6412759e-10 5.0766859e-10 4.6173532e-10 ] [ 4.6440312e-10 3.4700426e-10 3.1757882e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.4e-06 -2.35e-05 5.4e-06 ] [ -8.3e-06 9.6e-06 -2.14e-05 ] [ -5.4e-06 1.3e-06 2.48e-05 ] [ -1.83e-05 3.24e-05 -1.89e-05 ] [ 1.18e-05 -1.57e-05 -1.39e-05 ] [ 1.48e-05 -4.1e-06 2.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.65175375232e-15 -3.76511505888e-14 8.65175375232e-15 ] [ -1.329806595264e-14 1.538089555968e-14 -3.428657968511999e-14 ] [ -8.65175375232e-15 2.08282960704e-15 3.973398019584e-14 ] [ -2.931983216064e-14 5.191052251392001e-14 -3.028113813312e-14 ] [ 1.890568412544e-14 -2.515417294656e-14 -2.227025502912e-14 ] [ 2.371221398784e-14 -6.568924145279999e-15 3.829202123712e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }