{ "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" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8295819 7.6497902 -5.9442728 ] [ 5.6732348 1.10016 9.3442807 ] [ 0.2178627 -10.1489278 -0.1404655 ] [ 6.1249857 0.9120449 -4.7964506 ] [ -4.3541662 7.2713172 1.2746952 ] [ -5.5919286 -4.1787818 6.8134002 ] [ -5.8995703 -2.6056028 -6.5511873 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.135666587618844e-09 1.225631501246496e-08 -9.523774907817354e-09 ] [ 9.089524160868965e-09 1.762650631139328e-09 1.497118807573266e-08 ] [ 3.490545244843641e-10 -1.626037484734718e-08 -2.250505401289824e-10 ] [ 9.813308891274322e-09 1.461257015899874e-09 -7.684761014142134e-09 ] [ -6.976143288717577e-09 1.164993442026092e-08 2.04228684808598e-09 ] [ -8.959257268102875e-09 -6.695146503384542e-09 1.091627050859405e-08 ] [ -9.452153607426042e-09 -4.174635889251019e-09 -1.049615913054188e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -36.178386 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.796416422747804e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8278889 2.3827574 3.3784198 ] [ 1.8300012 3.3464297 1.6588412 ] [ 2.7763107 4.6063017 3.2222369 ] [ 0.9364245 3.4761908 3.6855623 ] [ 4.8553809 1.6774632 2.8691076 ] [ 4.0293033 3.4399666 1.8259528 ] [ 4.5847837 3.5846805 3.9701194 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8278889e-10 2.3827574e-10 3.3784198e-10 ] [ 1.8300012e-10 3.3464297e-10 1.6588412e-10 ] [ 2.7763107e-10 4.606301700000001e-10 3.2222369e-10 ] [ 9.364245e-11 3.4761908e-10 3.6855623e-10 ] [ 4.8553809e-10 1.6774632e-10 2.8691076e-10 ] [ 4.0293033e-10 3.4399666e-10 1.8259528e-10 ] [ 4.5847837e-10 3.584680500000001e-10 3.9701194e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.34e-05 -6.18e-05 -5e-06 ] [ -5.6e-06 0.0001291 9.09e-05 ] [ -0.0002221 4.24e-05 -9.45e-05 ] [ 0.0001313 4.19e-05 -3.1e-05 ] [ 1.36e-05 0.0001047 2.44e-05 ] [ -3.2e-06 -0.0001274 -5.22e-05 ] [ -7.5e-06 -0.000129 6.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.4964329638272e-13 -9.901451516544e-14 -8.010883104e-15 ] [ -8.972189076479999e-15 2.0684100174528e-13 1.4563785483072e-13 ] [ -3.5584342747968e-13 6.793228872192001e-14 -1.514056906656e-13 ] [ 2.1036579031104e-13 6.713120041152e-14 -4.96674752448e-14 ] [ 2.178960204288e-14 1.6774789219776e-13 3.909310954752e-14 ] [ -5.126965186560001e-15 -2.0411730148992e-13 -8.363361960576001e-14 ] [ -1.2016324656e-14 -2.066807840832e-13 1.08146921904e-13 ] ] } "relaxed-potential-energy" { "source-value" -49.241665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.889384443226563e-18 } }