{ "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" [ [ 0.8760834 0.5811476 0.1887226 ] [ 0.0667642 0.1957144 2.535937 ] [ 2.950388 1.045755 1.267551 ] [ 1.713434 2.554048 0.6359242 ] [ 2.757437 2.623078 2.535254 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.760833999999999e-11 5.811476e-11 1.887226e-11 ] [ 6.67642e-12 1.957144e-11 2.535937e-10 ] [ 2.950388e-10 1.045755e-10 1.267551e-10 ] [ 1.713434e-10 2.554048e-10 6.359242000000001e-11 ] [ 2.757437e-10 2.623078e-10 2.535254e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.5635348 -7.8746836 -3.0092402 ] [ -1.5865314 -0.9904961 -0.2789784 ] [ 17.7982465 -17.1110158 0.3495085 ] [ -10.2731758 17.398267 -12.3656609 ] [ 3.6249954 8.5779284 15.3043709 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.53224718687672e-08 -1.261663396011718e-08 -4.821334294811516e-09 ] [ -2.541903517245093e-09 -1.586949694413579e-09 -4.469726701881907e-10 ] [ 2.851593443353543e-08 -2.741486947289941e-08 5.599743474708768e-10 ] [ -1.645944208812834e-08 2.787509662983616e-08 -1.981197279472069e-08 ] [ 5.807882880387545e-09 1.374335633737635e-08 2.452030525203186e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.7153549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.075918462115472e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.107543 0.6555142 0.6334651 ] [ -0.5105874 -0.2406383 2.0857011 ] [ 3.3015315 0.5364874 1.6897364 ] [ 1.1360213 3.0837491 0.8487139 ] [ 3.329598 2.9646306 1.9057723 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.107543e-10 6.555142e-11 6.334651000000001e-11 ] [ -5.105874000000001e-11 -2.406383e-11 2.0857011e-10 ] [ 3.3015315e-10 5.364874e-11 1.6897364e-10 ] [ 1.1360213e-10 3.0837491e-10 8.487139e-11 ] [ 3.329598e-10 2.9646306e-10 1.9057723e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-06 -9.3e-06 -1.61e-05 ] [ 1.6e-06 8.2e-06 -2e-07 ] [ 1.02e-05 -8.2e-06 1.24e-05 ] [ -1.17e-05 5.8e-06 9.7e-06 ] [ 3.3e-06 3.5e-06 -5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.6076181728e-15 -1.490024257344e-14 -2.579504359488e-14 ] [ 2.56348259328e-15 1.313784829056e-14 -3.2043532416e-16 ] [ 1.634220153216e-14 -1.313784829056e-14 1.986699009792e-14 ] [ -1.874546646336e-14 9.292624400640001e-15 1.554111322176e-14 ] [ 5.28718284864e-15 5.6076181728e-15 -9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.419499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.669387769824898e-18 } }