{ "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" [ [ 0.468554 0.0062453 1.779472 ] [ 0.0137549 1.819656 0.3703857 ] [ 0.6368997 2.724291 2.946976 ] [ 2.361208 0.5254432 0.0878272 ] [ 1.952332 1.317185 1.267695 ] [ 2.764287 2.133831 2.76552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.685540000000001e-11 6.2453e-13 1.779472e-10 ] [ 1.37549e-12 1.819656e-10 3.703857e-11 ] [ 6.368997e-11 2.724291e-10 2.946976e-10 ] [ 2.361208e-10 5.254432e-11 8.782719999999999e-12 ] [ 1.952332e-10 1.317185e-10 1.267695e-10 ] [ 2.764287e-10 2.133831e-10 2.76552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.2124077 -6.7465882 2.6193787 ] [ -3.1197279 3.1015491 0.1950066 ] [ -2.4026174 0.5062137 -2.0185168 ] [ 17.897513 -33.4734288 -50.0991155 ] [ -14.923027 31.1851694 38.591276 ] [ 7.760267 5.4270848 10.711971 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.3511977550179e-09 -1.080922588420516e-08 4.196707314161497e-09 ] [ -4.998355104637481e-09 4.969229456283282e-09 3.124350154216973e-10 ] [ -3.849417427007282e-09 8.11043755268665e-10 -3.23402042565203e-09 ] [ 2.867497689906407e-08 -5.36303450413734e-08 -8.026763157685891e-08 ] [ -2.390932497096716e-08 4.996414932836756e-08 6.183004017404014e-08 ] [ 1.243331835856575e-08 8.695148385659044e-09 1.71624694988876e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.7444526 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.203627655013774e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.1024323 -0.4546129 1.7659559 ] [ -0.4751121 1.7928857 1.1100021 ] [ 1.1740102 3.2766276 2.0163364 ] [ 2.9985482 0.8532226 -0.5042246 ] [ 1.8344871 0.9309882 1.4865582 ] [ 2.7675344 2.1275402 3.3432478 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.024323e-11 -4.546129e-11 1.7659559e-10 ] [ -4.751121e-11 1.7928857e-10 1.1100021e-10 ] [ 1.1740102e-10 3.2766276e-10 2.0163364e-10 ] [ 2.9985482e-10 8.532226000000001e-11 -5.042246e-11 ] [ 1.8344871e-10 9.309882000000001e-11 1.4865582e-10 ] [ 2.7675344e-10 2.1275402e-10 3.3432478e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.3e-06 1e-07 2.5e-06 ] [ -6.8e-06 2.7e-06 -2.7e-06 ] [ 2.4e-06 -3.9e-06 -3.8e-06 ] [ 4e-07 4.1e-06 7.1e-06 ] [ -3.8e-06 2e-07 -1.7e-06 ] [ 3.5e-06 -3.1e-06 -1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.889359469440001e-15 1.6021766208e-16 4.005441552e-15 ] [ -1.089480102144e-14 4.32587687616e-15 -4.32587687616e-15 ] [ 3.84522388992e-15 -6.24848882112e-15 -6.08827115904e-15 ] [ 6.408706483200001e-16 6.568924145279999e-15 1.137545400768e-14 ] [ -6.08827115904e-15 3.2043532416e-16 -2.72370025536e-15 ] [ 5.6076181728e-15 -4.96674752448e-15 -2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.308727 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.612946111440973e-18 } }