{ "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" [ [ 0.421878 2.270641 0.131256 ] [ 0.1151872 2.83342 1.501847 ] [ 1.874433 0.2983712 0.2433776 ] [ 2.499725 0.6406393 2.506935 ] [ 1.789352 2.803582 2.39627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.21878e-11 2.270641e-10 1.31256e-11 ] [ 1.151872e-11 2.83342e-10 1.501847e-10 ] [ 1.874433e-10 2.983712e-11 2.433776e-11 ] [ 2.499725e-10 6.406393e-11 2.506935e-10 ] [ 1.789352e-10 2.803582e-10 2.39627e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3754569 -3.6280358 -8.7438421 ] [ -6.0205674 2.4090442 4.9496764 ] [ -0.4871167 1.1070222 1.0292093 ] [ -0.2829896 -0.1443649 -0.6631324 ] [ 5.4152167 0.2563343 3.4280888 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.203724906254075e-09 -5.812754186075496e-09 -1.400917950400549e-08 ] [ -9.64601241170213e-09 3.859714327513223e-09 7.930255873941238e-09 ] [ -7.804469947711877e-10 1.773645102159275e-09 1.648975091955496e-09 ] [ -4.533993247850063e-10 -2.312980695497466e-10 -1.062455236528341e-09 ] [ 8.676133664786588e-09 4.106928259527461e-10 5.492403774637098e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.322027532689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.012900479238006e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0011948 2.3205724 0.0197691 ] [ -0.4586487 2.8321362 1.8723682 ] [ 1.6643916 0.1487776 0.3571313 ] [ 2.5550609 0.6729713 2.381073 ] [ 1.9385766 2.8721961 2.149344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0011948e-10 2.3205724e-10 1.97691e-12 ] [ -4.586487e-11 2.8321362e-10 1.8723682e-10 ] [ 1.6643916e-10 1.487776e-11 3.571313e-11 ] [ 2.5550609e-10 6.729713000000001e-11 2.381073e-10 ] [ 1.9385766e-10 2.8721961e-10 2.149344e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.8e-05 1.67e-05 -5.93e-05 ] [ -2.29e-05 1.65e-05 4.15e-05 ] [ -4.1e-06 -4.22e-05 1.81e-05 ] [ 9.2e-06 2.35e-05 -2.68e-05 ] [ -2.03e-05 -1.46e-05 2.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.088271209199999e-14 2.67563497878e-14 -9.500907439619998e-14 ] [ -3.66898449186e-14 2.6435914461e-14 6.649033031099999e-14 ] [ -6.568924199399999e-15 -6.761185395480001e-14 2.899939707539999e-14 ] [ 1.47400250328e-14 3.765115089899999e-14 -4.293833379119999e-14 ] [ -3.252418567019999e-14 -2.33917788564e-14 4.26178984644e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.755891432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.883501456529618e-18 } }