{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8548409 6.6493229 0.9323384 ] [ -24.4123475 -28.9868067 3.2985737 ] [ -0.9641937 -8.9911894 2.0057252 ] [ 7.9288447 -4.4392426 -3.6413327 ] [ -4.3105112 3.606999 1.3824415 ] [ -1.3687736 -1.7878153 7.7165424 ] [ 19.2721403 33.9487321 -11.6942885 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.176135966883631e-09 1.065338969453006e-08 1.493770787154079e-09 ] [ -3.911289242334533e-08 -4.64419840063888e-08 5.284897664125753e-09 ] [ -1.544808604062649e-09 -1.440547344986478e-08 3.213526023189404e-09 ] [ 1.270340960829399e-08 -7.112450707779406e-09 -5.83405812049454e-09 ] [ -6.906200268336552e-09 5.779049469048979e-09 2.214915450923683e-09 ] [ -2.193017061088251e-09 -2.864395875968538e-09 1.236326382669192e-08 ] [ 3.08773726214375e-08 5.439186487642249e-08 -1.87363156315903e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -33.191859 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.317922049069007e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2118286 2.3383226 2.7849295 ] [ 2.8275982 1.4071264 4.6871597 ] [ 2.5770848 4.5111267 2.8864358 ] [ 1.8626314 3.410003 4.6808152 ] [ 4.1384568 1.2704185 2.896723 ] [ 3.9836254 3.1887945 1.7838086 ] [ 3.9439309 3.1766654 3.9890478 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2118286e-10 2.3383226e-10 2.7849295e-10 ] [ 2.8275982e-10 1.4071264e-10 4.687159699999999e-10 ] [ 2.5770848e-10 4.5111267e-10 2.8864358e-10 ] [ 1.8626314e-10 3.410003e-10 4.680815199999999e-10 ] [ 4.1384568e-10 1.2704185e-10 2.896723e-10 ] [ 3.983625400000001e-10 3.1887945e-10 1.7838086e-10 ] [ 3.9439309e-10 3.1766654e-10 3.9890478e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.73e-05 3.4e-05 -0.0001755 ] [ 0.0001468 0.0001056 0.000281 ] [ -7.5e-06 0.0001586 7.76e-05 ] [ -5.84e-05 -9.51e-05 -0.0001329 ] [ -7e-06 -6.96e-05 -0.0001972 ] [ 1.7e-05 -0.0001041 -2.74e-05 ] [ -2.35e-05 -2.94e-05 0.0001745 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.0782648657984e-13 5.44740051072e-14 -2.811819969504e-13 ] [ 2.3519952793344e-13 1.6918985115648e-13 4.502116304448e-13 ] [ -1.2016324656e-14 2.5410521205888e-13 1.2432890577408e-13 ] [ -9.356711465472001e-14 -1.5236699663808e-13 -2.1292927290432e-13 ] [ -1.12152363456e-14 -1.1151149280768e-13 -3.1594922962176e-13 ] [ 2.72370025536e-14 -1.6678658622528e-13 -4.389963940992e-14 ] [ -3.76511505888e-14 -4.710399265152e-14 2.795798203296e-13 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }