{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.8328 1.144076 3.909989 ] [ 1.831555 2.949109 3.983595 ] [ 4.980623 2.123246 2.998848 ] [ 3.28235 2.585733 1.880535 ] [ 4.448764 2.855471 5.04642 ] [ 4.331941 4.016039 3.033368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8328e-10 1.144076e-10 3.909989e-10 ] [ 1.831555e-10 2.949109e-10 3.983595000000001e-10 ] [ 4.980622999999999e-10 2.123246e-10 2.998848e-10 ] [ 3.28235e-10 2.585733e-10 1.880535e-10 ] [ 4.448764e-10 2.855471e-10 5.04642e-10 ] [ 4.331941e-10 4.016039e-10 3.033368e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6093469 -10.7408299 1.7778286 ] [ -3.4002534 8.2816207 1.2305279 ] [ 13.1794284 -14.6309514 -0.7005365 ] [ -9.1253561 -2.1245134 -11.1625403 ] [ -0.9590949 0.7811731 6.800532 ] [ -1.3040708 18.433501 2.0541884 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.578457977936956e-09 -1.72087065537696e-08 2.848395418709595e-09 ] [ -5.447806502275711e-09 1.326861906787333e-08 1.97152303262212e-09 ] [ 2.111577205798755e-08 -2.344136827314103e-08 -1.122383202317059e-09 ] [ -1.462043219989467e-08 -3.403845700056319e-09 -1.788436109739782e-08 ] [ -1.536639425908514e-09 1.25157727761786e-09 1.089565337940227e-08 ] [ -2.089351747627953e-09 2.953372434169342e-08 3.291172629198559e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9615133 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.949220613048257e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.9957173 0.8924924 3.873771 ] [ 1.9670274 3.3287769 3.9897133 ] [ 5.2689862 1.8957799 2.9612043 ] [ 2.9930406 2.4319232 1.7203457 ] [ 4.2429689 2.7926354 5.2305728 ] [ 4.2402927 4.3320663 3.0771479 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9957173e-10 8.924924e-11 3.873771e-10 ] [ 1.9670274e-10 3.3287769e-10 3.9897133e-10 ] [ 5.2689862e-10 1.8957799e-10 2.9612043e-10 ] [ 2.9930406e-10 2.4319232e-10 1.7203457e-10 ] [ 4.2429689e-10 2.7926354e-10 5.2305728e-10 ] [ 4.2402927e-10 4.3320663e-10 3.0771479e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.16e-05 -3.1e-06 2.2e-06 ] [ -2.65e-05 -6.2e-06 1.84e-05 ] [ -8e-06 2.25e-05 -8.9e-06 ] [ 6.4e-06 -1.05e-05 -3.18e-05 ] [ 1.27e-05 3.9e-06 2.86e-05 ] [ 2.7e-05 -6.6e-06 -8.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.858524880128e-14 -4.96674752448e-15 3.52478856576e-15 ] [ -4.24576804512e-14 -9.93349504896e-15 2.948004982272e-14 ] [ -1.28174129664e-14 3.604897396800001e-14 -1.425937192512e-14 ] [ 1.025393037312e-14 -1.68228545184e-14 -5.094921654144e-14 ] [ 2.034764308416e-14 6.24848882112e-15 4.582225135488e-14 ] [ 4.32587687616e-14 -1.057436569728e-14 -1.377871893888e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.180363 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.111726945225735e-18 } }