{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0012423 -1.5604752 -1.5009488 ] [ -4.6144005 -8.5449239 5.5729687 ] [ -10.8361503 0.2504699 -4.7321475 ] [ 1.4161117 7.8498917 8.7036509 ] [ 3.4024317 -0.6583236 0.4308383 ] [ 6.1600737 7.4485455 -1.4854591 ] [ 4.4706914 -4.7851844 -6.9889024 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.99038401601984e-12 -2.500156882778204e-09 -2.404785076377815e-09 ] [ -7.393084600107831e-09 -1.369047729909516e-08 8.928880159590167e-09 ] [ -1.736142667013491e-08 4.01297017994114e-10 -7.581736090677168e-09 ] [ 2.268861058181343e-09 1.257691295755197e-08 1.394478598758488e-08 ] [ 5.4512965236088e-09 -1.054750680840891e-09 6.902790516052167e-10 ] [ 9.869526064544952e-09 1.193388545906505e-08 -2.379967841174609e-09 ] [ 7.162837239891621e-09 -7.666710571896877e-09 -1.119745603033301e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0033441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.442494742603762e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9911682 1.2025202 2.3457476 ] [ 1.5084051 2.7787643 3.3751861 ] [ 1.3239642 3.9400215 1.2870436 ] [ 3.3764905 4.1742775 4.0417861 ] [ 4.9329105 2.6530638 3.0386152 ] [ 3.2656982 5.3905675 1.9799307 ] [ 3.7809543 3.1253497 0.6925961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9911682e-10 1.2025202e-10 2.3457476e-10 ] [ 1.5084051e-10 2.7787643e-10 3.3751861e-10 ] [ 1.3239642e-10 3.9400215e-10 1.2870436e-10 ] [ 3.3764905e-10 4.1742775e-10 4.041786100000001e-10 ] [ 4.932910500000001e-10 2.6530638e-10 3.0386152e-10 ] [ 3.2656982e-10 5.390567500000001e-10 1.9799307e-10 ] [ 3.7809543e-10 3.1253497e-10 6.925961000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.54e-05 9.4e-06 -1.8e-06 ] [ 2.9e-06 3.2e-06 1.1e-06 ] [ 1.8e-06 8.9e-06 9e-07 ] [ 2.5e-06 -1.21e-05 -2.88e-05 ] [ -1.42e-05 7e-07 -1.3e-06 ] [ -3.9e-06 -4.2e-06 4.9e-06 ] [ -4.5e-06 -6e-06 2.51e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.467351996032e-14 1.506046023552e-14 -2.88391791744e-15 ] [ 4.646312200320001e-15 5.126965186560001e-15 1.76239428288e-15 ] [ 2.88391791744e-15 1.425937192512e-14 1.44195895872e-15 ] [ 4.005441552e-15 -1.938633711168e-14 -4.614268667904e-14 ] [ -2.275090801536e-14 1.12152363456e-15 -2.08282960704e-15 ] [ -6.24848882112e-15 -6.72914180736e-15 7.850665441919999e-15 ] [ -7.2097947936e-15 -9.6130597248e-15 4.021463318208e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.765666 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846373471814145e-18 } }