{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.2878613 -7.0670486 -4.7463208 ] [ -4.4461022 -3.7083315 7.0542836 ] [ 3.4672965 7.3470834 -2.5095036 ] [ -0.4468554 4.3588294 4.3254298 ] [ 3.2904922 -4.9457832 -8.5423857 ] [ 5.5750671 3.5603346 4.8634122 ] [ -0.1520369 0.4549159 -0.4449156 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.16764409904931e-08 -1.132266004497737e-08 -7.604444220576754e-09 ] [ -7.123440998527446e-09 -5.941402031476195e-09 1.130220826041286e-08 ] [ 5.555221389681667e-09 1.177132525454777e-08 -4.020667997733435e-09 ] [ -7.159412747582324e-10 6.983614558735692e-09 6.930102500471621e-09 ] [ 5.271949673764758e-09 -7.92401821458541e-09 -1.368641065439624e-08 ] [ 8.932242167011256e-09 5.70428485834532e-09 7.792045324153494e-09 ] [ -2.435899666789075e-10 7.288556194101907e-10 -7.128333725492045e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.879918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.90337268766211e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7275474 1.8968399 2.2666646 ] [ 0.9358702 1.7776666 4.6659851 ] [ 2.3069542 4.2826486 2.4912551 ] [ 2.5821852 3.6879819 4.8652866 ] [ 3.9404596 0.8404013 2.7170794 ] [ 4.7322691 2.7716345 4.0806373 ] [ 4.8097823 4.3922633 2.1402129 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7275474e-10 1.8968399e-10 2.2666646e-10 ] [ 9.358702e-11 1.7776666e-10 4.6659851e-10 ] [ 2.3069542e-10 4.2826486e-10 2.4912551e-10 ] [ 2.5821852e-10 3.6879819e-10 4.8652866e-10 ] [ 3.9404596e-10 8.404013e-11 2.7170794e-10 ] [ 4.7322691e-10 2.7716345e-10 4.080637300000001e-10 ] [ 4.8097823e-10 4.3922633e-10 2.1402129e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-06 5.1e-06 -1.52e-05 ] [ 5e-07 1.8e-06 5.1e-06 ] [ 1.64e-05 -1.65e-05 1.03e-05 ] [ -3.6e-06 1.8e-06 -0.0 ] [ -9.6e-06 5.5e-06 5e-06 ] [ 2.3e-06 -1.4e-06 5e-07 ] [ -1.4e-05 3.6e-06 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-14 8.17110076608e-15 -2.435308463616e-14 ] [ 8.010883104e-16 2.88391791744e-15 8.17110076608e-15 ] [ 2.627569658112e-14 -2.64359142432e-14 1.650241919424e-14 ] [ -5.76783583488e-15 2.88391791744e-15 0.0 ] [ -1.538089555968e-14 8.8119714144e-15 8.010883104e-15 ] [ 3.68500622784e-15 -2.24304726912e-15 8.010883104e-16 ] [ -2.24304726912e-14 5.76783583488e-15 -9.13240673856e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }