{ "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" [ [ -22.1007355 -10.9171152 -11.8340306 ] [ -1.9989742 -14.8129249 -4.4598486 ] [ 11.2614078 -8.5817093 2.716664 ] [ -8.3832587 9.9293838 -23.7547372 ] [ 54.1626996 -20.4957552 -1.0100539 ] [ -42.4073138 75.4031026 -37.4860523 ] [ 9.4661748 -30.5249819 75.8280586 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.54092817205846e-08 -1.749114674002031e-08 -1.89602071571518e-08 ] [ -3.202709728822383e-09 -2.373292196044618e-08 -7.145465159227612e-09 ] [ 1.804276429445476e-08 -1.374941400696193e-08 4.352575547369012e-09 ] [ -1.34314610952582e-08 1.590862658331026e-08 -3.805928457508806e-08 ] [ 8.677821101853353e-08 -3.283781980708004e-08 -1.618284744327861e-09 ] [ -6.794400672128921e-08 1.208090881215037e-07 -6.005927660114606e-08 ] [ 1.516648395296612e-08 -4.890641235052316e-08 1.214899426895724e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 5.43132 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.701933924083457e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7744192 2.2324425 2.9280609 ] [ 3.5268668 1.6158333 1.0585166 ] [ 4.362623 1.4355873 3.629825 ] [ 3.528472 4.1303939 0.3076179 ] [ 5.3272827 3.4278899 2.1992188 ] [ 3.0104822 4.619615 2.8645946 ] [ 3.0730181 3.1869881 5.0982914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7744192e-10 2.2324425e-10 2.928060900000001e-10 ] [ 3.5268668e-10 1.6158333e-10 1.0585166e-10 ] [ 4.362623e-10 1.4355873e-10 3.629825e-10 ] [ 3.528472e-10 4.1303939e-10 3.076179e-11 ] [ 5.3272827e-10 3.4278899e-10 2.1992188e-10 ] [ 3.0104822e-10 4.619615e-10 2.8645946e-10 ] [ 3.0730181e-10 3.1869881e-10 5.0982914e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.96e-05 1.05e-05 -2.44e-05 ] [ -3.93e-05 -8.5e-06 -3.14e-05 ] [ 3.4e-06 2.66e-05 4.81e-05 ] [ -1.98e-05 -1.79e-05 9.5e-06 ] [ 5.79e-05 3.84e-05 -9e-07 ] [ 1.73e-05 9.8e-06 -5e-05 ] [ 1e-07 -5.88e-05 4.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.140266176767999e-14 1.68228545184e-14 -3.909310954752e-14 ] [ -6.296554119743999e-14 -1.36185012768e-14 -5.030834589312e-14 ] [ 5.44740051072e-15 4.261789811328e-14 7.706469546047999e-14 ] [ -3.172309709184e-14 -2.867896151232001e-14 1.52206778976e-14 ] [ 9.276602634432e-14 6.152358223872e-14 -1.44195895872e-15 ] [ 2.771765553984e-14 1.570133088384e-14 -8.010883104e-14 ] [ 1.6021766208e-16 -9.420798530304e-14 7.866687208128001e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.718424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.960328103582162e-18 } }