{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1628831 0.2728874 0.086905 ] [ -0.5537635 0.8878373 0.0779531 ] [ 0.3374551 -0.2971831 -0.0180403 ] [ 0.5594865 0.1632216 2.8305919 ] [ -0.1711434 -0.1576011 0.9200936 ] [ 1.0618901 0.3106771 -3.337476 ] [ -0.0710416 -1.1798393 -0.5600274 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.863144115543428e-09 4.372138123908979e-10 1.39237159230624e-10 ] [ -8.872269331523808e-10 1.422472165134196e-09 1.248946343388845e-10 ] [ 5.406626717897261e-10 -4.761398149168684e-10 -2.890374689221824e-11 ] [ 8.963961899532192e-10 2.615098315295693e-10 4.535108165205851e-09 ] [ -2.742019542842227e-10 -2.525047978323629e-10 1.474152454867707e-09 ] [ 1.701335492078974e-09 4.977595862379437e-10 -5.347226019681102e-09 ] [ -1.138211906242253e-10 -1.890310942761037e-09 -8.972628072874098e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.635353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.786801000095514e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7283526 2.8435842 1.52231 ] [ 2.4098545 2.7646792 3.8190561 ] [ 3.5315234 1.3784755 2.1119946 ] [ 4.8561081 2.9115492 3.5222867 ] [ 3.2090241 4.6161896 1.0558511 ] [ 4.9565591 3.0373847 1.1306794 ] [ 3.4763452 4.8667186 3.3834812 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7283526e-10 2.8435842e-10 1.52231e-10 ] [ 2.4098545e-10 2.7646792e-10 3.8190561e-10 ] [ 3.5315234e-10 1.3784755e-10 2.1119946e-10 ] [ 4.8561081e-10 2.9115492e-10 3.5222867e-10 ] [ 3.2090241e-10 4.6161896e-10 1.0558511e-10 ] [ 4.9565591e-10 3.0373847e-10 1.1306794e-10 ] [ 3.4763452e-10 4.866718599999999e-10 3.3834812e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.51e-05 1.2e-06 3.7e-06 ] [ -4e-07 5.8e-06 -4e-06 ] [ -8.7e-06 -1.98e-05 -4.4e-06 ] [ 3.1e-06 6.8e-06 5.5e-06 ] [ -1e-07 -1.61e-05 -1.27e-05 ] [ 3.44e-05 1.95e-05 -6.1e-06 ] [ 6.8e-06 2.6e-06 1.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.623639939008e-14 1.92261194496e-15 5.928053496960001e-15 ] [ -6.408706483200001e-16 9.292624400640001e-15 -6.4087064832e-15 ] [ -1.393893660096e-14 -3.172309709184e-14 -7.04957713152e-15 ] [ 4.96674752448e-15 1.089480102144e-14 8.8119714144e-15 ] [ -1.6021766208e-16 -2.579504359488e-14 -2.034764308416e-14 ] [ 5.511487575552001e-14 3.12424441056e-14 -9.77327738688e-15 ] [ 1.089480102144e-14 4.16565921408e-15 2.867896151232001e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }