{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7761559 3.3451228 7.2267151 ] [ 12.7906746 -4.877034 -5.5222345 ] [ -2.5223851 0.5393011 0.4842336 ] [ -2.6588917 -1.3871889 10.4301015 ] [ -5.4053168 10.6368572 -12.7859254 ] [ 2.2629035 -2.5458808 0.0998623 ] [ -3.6908285 -5.7111775 0.0672475 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.243538837075983e-09 5.359477543865034e-09 1.157847397840233e-08 ] [ 2.049291980838039e-08 -7.813869853646707e-09 -8.847595010475178e-09 ] [ -4.04130643587427e-09 8.640556139917229e-10 7.758277529258189e-10 ] [ -4.260014118979167e-09 -2.222521624213269e-09 1.671086477587101e-08 ] [ -8.660272204977469e-09 1.704212392462815e-08 -2.048531075117289e-08 ] [ 3.625571082826493e-09 -4.078950697103601e-09 1.599970423593158e-10 ] [ -5.913359134082333e-09 -9.150315067738992e-09 1.07742372307248e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.4874929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.039410945198599e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8975423 0.7264925 1.8169699 ] [ 1.6388538 2.1253628 3.3445702 ] [ 1.5200644 4.9014671 1.0150016 ] [ 4.0357002 1.7156265 2.589078 ] [ 4.2902386 0.1091053 4.0713863 ] [ 3.0011306 3.3752153 1.5780376 ] [ 2.9016221 3.5198512 4.4855935 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.975423e-11 7.264925e-11 1.8169699e-10 ] [ 1.6388538e-10 2.1253628e-10 3.3445702e-10 ] [ 1.5200644e-10 4.901467099999999e-10 1.0150016e-10 ] [ 4.0357002e-10 1.7156265e-10 2.589078e-10 ] [ 4.290238600000001e-10 1.091053e-11 4.071386300000001e-10 ] [ 3.0011306e-10 3.3752153e-10 1.5780376e-10 ] [ 2.9016221e-10 3.5198512e-10 4.485593500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0373222 -0.0489323 -0.0451319 ] [ 0.0283741 0.0264317 0.0183918 ] [ -0.0418416 0.0558858 -0.0291966 ] [ -0.0728332 0.0217043 0.0265511 ] [ 0.0309447 0.0126132 -0.0338484 ] [ 0.0837302 -0.0902034 0.0364938 ] [ 0.0089481 0.0225005 0.0267402 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.979675627682176e-11 -7.839818706197184e-11 -7.230927503228354e-11 ] [ 4.546031965624128e-11 4.234825178799936e-11 2.946691197442944e-11 ] [ -6.703763329686528e-11 8.953892219470465e-11 -4.677810992684928e-11 ] [ -1.166916502580506e-10 3.477412203082944e-11 4.253955167652288e-11 ] [ 4.957887487766976e-11 2.020857415347456e-11 -5.423111513148672e-11 ] [ 1.341505688949082e-10 -1.445217785966707e-10 5.846951316415105e-11 ] [ 1.433643662058048e-11 3.60497750563104e-11 4.284252327551616e-11 ] ] } "relaxed-potential-energy" { "source-value" -14.056581 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252112544658149e-18 } }