{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0785946 -2.1935084 -1.4869827 ] [ -6.2195445 -0.4450372 3.2693752 ] [ -0.4298313 4.5123411 -1.9088733 ] [ 4.5241457 0.7753752 -2.8957298 ] [ 0.5197852 1.8030547 2.4445364 ] [ -1.3494107 -2.202337 2.7743707 ] [ 4.0334502 -2.2498884 -2.1966964 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.728099051441127e-09 -3.514387876008415e-09 -2.38240891747406e-09 ] [ -9.964808789925227e-09 -7.130281972262937e-10 5.238116510063324e-09 ] [ -6.886656597480711e-10 7.229567415494956e-09 -3.058352173329345e-09 ] [ 7.248480469632851e-09 1.242288017788124e-09 -4.639470585713859e-09 ] [ 8.327876952778521e-10 2.888812086363558e-09 3.916579068774597e-09 ] [ -2.161994275397363e-09 -3.52853285252281e-09 4.44503187297253e-09 ] [ 6.462299611601084e-09 -3.604718593889119e-09 -3.519495615075525e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.502844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323611759190956e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3307926 0.2443182 1.9592967 ] [ 1.4857254 2.4780599 2.282336 ] [ 3.3817941 3.6596202 3.0602356 ] [ 5.1418826 2.6207455 1.870367 ] [ 3.7583658 2.9057117 5.2706794 ] [ 4.6033921 0.6719499 4.9476699 ] [ 4.6017315 0.4349591 2.5939254 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3307926e-10 2.443182e-11 1.9592967e-10 ] [ 1.4857254e-10 2.4780599e-10 2.282336e-10 ] [ 3.3817941e-10 3.6596202e-10 3.0602356e-10 ] [ 5.1418826e-10 2.6207455e-10 1.870367e-10 ] [ 3.7583658e-10 2.9057117e-10 5.270679399999999e-10 ] [ 4.6033921e-10 6.719499e-11 4.947669900000001e-10 ] [ 4.6017315e-10 4.349591e-11 2.5939254e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.5e-06 2.91e-05 3.61e-05 ] [ -8.2e-06 4.47e-05 -3.6e-06 ] [ -2.82e-05 -1.2e-05 -5.47e-05 ] [ 4.9e-06 -5.8e-06 -1.61e-05 ] [ -2.98e-05 -3.43e-05 2.61e-05 ] [ 2.55e-05 -1.58e-05 -6.4e-06 ] [ 3.44e-05 -5.9e-06 1.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.4032649312e-15 4.662333966527999e-14 5.783857601088001e-14 ] [ -1.313784829056e-14 7.161729494976001e-14 -5.76783583488e-15 ] [ -4.518138070656001e-14 -1.92261194496e-14 -8.763906115775999e-14 ] [ 7.850665441919999e-15 -9.292624400640001e-15 -2.579504359488e-14 ] [ -4.774486329984001e-14 -5.495465809344e-14 4.181680980288e-14 ] [ 4.08555038304e-14 -2.531439060864e-14 -1.025393037312e-14 ] [ 5.511487575552001e-14 -9.45284206272e-15 2.980048514688e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }