{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.135722 0.0671856 0.8418581 ] [ 1.330168 2.113646 0.0657344 ] [ 0.0470942 1.897018 2.992181 ] [ 2.611886 0.9021473 0.0602941 ] [ 2.88133 0.1204436 1.620481 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.135722e-10 6.71856e-12 8.418581000000001e-11 ] [ 1.330168e-10 2.113646e-10 6.57344e-12 ] [ 4.70942e-12 1.897018e-10 2.992181e-10 ] [ 2.611886e-10 9.021473000000001e-11 6.02941e-12 ] [ 2.88133e-10 1.204436e-11 1.620481e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -28.6159253 -13.2051006 3.7871386 ] [ -20.8400252 25.9287692 -6.2653283 ] [ 0.0 0.0 0.0 ] [ 28.1579739 3.0966651 -28.3643106 ] [ 21.2979766 -15.8203337 30.8425003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.584776649821923e-08 -2.115690345663205e-08 6.067664924649243e-09 ] [ -3.338940115232284e-08 4.154246781835912e-08 -1.003816252389661e-08 ] [ 0.0 0.0 0.0 ] [ 4.51140474716766e-08 4.961404425667295e-09 -4.544463530842962e-08 ] [ 3.412312017886547e-08 -2.534696878739436e-08 4.941513290767699e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.716365 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.877168608375939e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.755902 0.7454163 1.5494063 ] [ 1.2508113 1.9489162 -0.4435285 ] [ -0.4104697 1.5206373 3.3677707 ] [ 3.4524372 1.0445053 -0.4430026 ] [ 2.9575195 -0.1590346 1.5499028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.559019999999999e-11 7.454163e-11 1.5494063e-10 ] [ 1.2508113e-10 1.9489162e-10 -4.435285e-11 ] [ -4.104697e-11 1.5206373e-10 3.3677707e-10 ] [ 3.4524372e-10 1.0445053e-10 -4.430026000000001e-11 ] [ 2.9575195e-10 -1.590346e-11 1.5499028e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.74e-05 -9.6e-06 -2.63e-05 ] [ 2.7e-06 5e-07 2.06e-05 ] [ -1.9e-05 -1.3e-06 8.8e-06 ] [ -1.78e-05 -2.24e-05 5.5e-06 ] [ -3.34e-05 3.27e-05 -8.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0798670424192e-13 -1.538089555968e-14 -4.213724512704e-14 ] [ 4.32587687616e-15 8.010883104e-16 3.300483838848e-14 ] [ -3.04413557952e-14 -2.08282960704e-15 1.409915426304e-14 ] [ -2.851874385024e-14 -3.588875630592e-14 8.8119714144e-15 ] [ -5.351269913472e-14 5.239117550016001e-14 -1.393893660096e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.303473 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.811016017444404e-18 } }