{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2552177 -1.5663733 -1.9621912 ] [ -0.925467 -1.7851723 -0.0762138 ] [ 1.3801737 -1.3552591 -0.4237714 ] [ -0.6816111 0.7185588 -1.9766263 ] [ 7.1214689 -2.6766149 0.3689124 ] [ -6.3367188 9.5183336 -4.104198 ] [ 1.6973719 -2.8534728 8.1740882 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.613257073754349e-09 -2.509606680705344e-09 -3.143776866179497e-09 ] [ -1.482761590721914e-09 -2.860161323159764e-09 -1.221079685423271e-10 ] [ 2.211282034783033e-09 -2.171364445146449e-09 -6.789566296436852e-10 ] [ -1.092061368897771e-09 1.151258110030103e-09 -3.166904445918407e-09 ] [ 1.140985097733429e-08 -4.288409815664931e-09 5.910628224032178e-10 ] [ -1.015254271394383e-08 1.52500515628951e-08 -6.575650082734119e-09 ] [ 2.719489574982876e-09 -4.571767408248714e-09 1.309633301039715e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.740507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.002560217733875e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0460105 2.3882686 2.8182163 ] [ 3.6745815 1.6063689 1.1318042 ] [ 4.2415178 1.3739745 3.5465395 ] [ 3.4168317 3.9632966 0.6006204 ] [ 5.0247786 3.3753526 2.3264602 ] [ 2.972265 4.7359436 2.8829891 ] [ 3.227179 3.2055452 4.7794955 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0460105e-10 2.3882686e-10 2.8182163e-10 ] [ 3.6745815e-10 1.6063689e-10 1.1318042e-10 ] [ 4.2415178e-10 1.3739745e-10 3.5465395e-10 ] [ 3.4168317e-10 3.9632966e-10 6.006204000000001e-11 ] [ 5.024778600000001e-10 3.3753526e-10 2.3264602e-10 ] [ 2.972265e-10 4.7359436e-10 2.8829891e-10 ] [ 3.227179e-10 3.2055452e-10 4.779495500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.09e-05 2.65e-05 -1.53e-05 ] [ 2.08e-05 2.12e-05 7e-07 ] [ 5.6e-06 1.23e-05 2.32e-05 ] [ -3.3e-05 -1.7e-06 -3.1e-06 ] [ -2.01e-05 -2.56e-05 2.2e-06 ] [ 2.01e-05 -2.19e-05 1e-07 ] [ -4.2e-06 -1.07e-05 -7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.746372516672e-14 4.24576804512e-14 -2.451330229824e-14 ] [ 3.332527371264e-14 3.396614436096001e-14 1.12152363456e-15 ] [ 8.972189076479999e-15 1.970677243584e-14 3.717049760256e-14 ] [ -5.28718284864e-14 -2.72370025536e-15 -4.96674752448e-15 ] [ -3.220375007808e-14 -4.101572149248001e-14 3.52478856576e-15 ] [ 3.220375007808e-14 -3.508766799552e-14 1.6021766208e-16 ] [ -6.72914180736e-15 -1.714328984256e-14 -1.249697764224e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.032609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.530013103502767e-18 } }