{ "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" [ [ 1.6266589 0.3658678 0.1087564 ] [ -3.5090148 -8.1934329 0.2704468 ] [ -10.4082345 -2.1141779 -1.8472582 ] [ 3.1427272 9.4591554 5.3448659 ] [ 0.4155474 -1.2741724 -0.6173507 ] [ 5.8957101 4.7580437 -0.5317652 ] [ 2.8366057 -3.0012837 -2.727695 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.606194881068142e-09 5.861848402929852e-10 1.742469628779576e-10 ] [ -5.622061520920182e-09 -1.312732674462686e-08 4.333035437000711e-10 ] [ -1.667583011709267e-08 -3.387286431499188e-09 -2.959633925004899e-09 ] [ 5.035204086876244e-09 1.515523775925492e-08 8.56341925684338e-09 ] [ 6.657803345994515e-10 -2.041449246967701e-09 -9.891048665235437e-10 ] [ 9.445968963057802e-09 7.623226439690904e-09 -8.519817782143368e-10 ] [ 4.544743372411213e-09 -4.808586616145065e-09 -4.37024919367863e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.839116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736617838841554e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.6234736 1.4564186 1.7432826 ] [ 2.3708061 2.6107646 3.7008708 ] [ 1.3566713 4.0474794 1.8219871 ] [ 2.7742344 5.1006393 3.7448677 ] [ 4.3800249 1.1843417 4.0953406 ] [ 3.4478014 5.5675337 1.3607493 ] [ 3.2265794 3.2973873 0.2938074 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.6234736e-10 1.4564186e-10 1.7432826e-10 ] [ 2.3708061e-10 2.6107646e-10 3.7008708e-10 ] [ 1.3566713e-10 4.0474794e-10 1.8219871e-10 ] [ 2.7742344e-10 5.1006393e-10 3.7448677e-10 ] [ 4.380024900000001e-10 1.1843417e-10 4.0953406e-10 ] [ 3.4478014e-10 5.567533700000001e-10 1.3607493e-10 ] [ 3.2265794e-10 3.2973873e-10 2.938074e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.05e-05 -3e-06 -5.9e-06 ] [ 1.6e-06 4e-06 9.8e-06 ] [ -1.31e-05 -1.9e-06 4.5e-06 ] [ -4.9e-06 1.1e-05 -1.4e-06 ] [ -6.9e-06 -2e-07 -1.4e-05 ] [ 7.5e-06 -5.1e-06 1.6e-06 ] [ 5.2e-06 -4.8e-06 5.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6822854657e-14 -4.806529901999999e-15 -9.452842140600001e-15 ] [ 2.5634826144e-15 6.408706535999999e-15 1.57013310132e-14 ] [ -2.09885139054e-14 -3.0441356046e-15 7.209794853e-15 ] [ -7.850665506599998e-15 1.7623942974e-14 -2.2430472876e-15 ] [ -1.10550187746e-14 -3.204353268e-16 -2.243047287599999e-14 ] [ 1.2016324755e-14 -8.1711008334e-15 2.5634826144e-15 ] [ 8.331318496799998e-15 -7.690447843199998e-15 8.811971486999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.524112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.6474546143999e-18 } }