{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2100786 2.6915 2.714596 ] [ 1.703066 0.0721581 0.1101228 ] [ 2.026091 1.413329 2.796162 ] [ 1.827772 0.0799437 1.500255 ] [ 2.628484 2.60871 0.5510999 ] [ 1.843839 2.957574 1.991142 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.100786e-11 2.6915e-10 2.714596e-10 ] [ 1.703066e-10 7.215810000000001e-12 1.101228e-11 ] [ 2.026091e-10 1.413329e-10 2.796162e-10 ] [ 1.827772e-10 7.99437e-12 1.500255e-10 ] [ 2.628484e-10 2.60871e-10 5.510999e-11 ] [ 1.843839e-10 2.957574e-10 1.991142e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.7518643 11.8729911 9.8699315 ] [ 13.0452402 -14.1369897 158.1955302 ] [ 10.4729717 -3.4808005 22.3334104 ] [ -16.0627093 -25.1072369 -177.2741501 ] [ 6.7703103 18.1880632 -5.6109415 ] [ 10.5260515 12.6639729 -7.5137804 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.965685830267416e-08 1.902262875938648e-08 1.581337349819748e-08 ] [ 2.090077886116032e-08 -2.264995438583041e-08 2.534571800015003e-07 ] [ 1.677955040804003e-08 -5.57685718276895e-09 3.578206800561158e-08 ] [ -2.573529730716674e-08 -4.022622797406707e-08 -2.840244987624101e-07 ] [ 1.084723287822143e-08 2.914048963667283e-08 -8.989719291976483e-09 ] [ 1.686459362263677e-08 2.028992130682477e-08 -1.203840329070527e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 304.87222 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.884591432153942e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.1294559 2.729972 2.7467755 ] [ 1.7604691 0.0121655 0.7739603 ] [ 2.0601914 1.4020443 2.8693121 ] [ 1.7604691 0.0121655 0.7739603 ] [ 2.6504134 2.6678395 0.5330013 ] [ 1.8783318 2.9990279 1.9663683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.294559e-11 2.729972e-10 2.7467755e-10 ] [ 1.7604691e-10 1.21655e-12 7.739603000000001e-11 ] [ 2.0601914e-10 1.4020443e-10 2.8693121e-10 ] [ 1.7604691e-10 1.21655e-12 7.739603000000001e-11 ] [ 2.6504134e-10 2.6678395e-10 5.330013e-11 ] [ 1.8783318e-10 2.9990279e-10 1.9663683e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -27.4858033 9.8036528 11.4816446 ] [ -1.8698931 -3.988473983314753e+114 9.817782112774778e+114 ] [ 10.6807766 -8.6932364 27.1975935 ] [ -1.8698931 3.988473983314753e+114 -9.817782112774778e+114 ] [ 4.7943533 18.4255092 -2.0831538 ] [ 15.7504597 17.9730203 -15.1855943 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.403711145116749e-08 1.570718331460046e-08 1.839562254645457e-08 ] [ -2.995899008215237e-09 -6.390239768735947e+105 1.572982096919618e+106 ] [ 1.711249056050771e-08 -1.392810011916756e-08 4.357534844772205e-08 ] [ -2.995899008215237e-09 6.390239768735947e+105 -1.572982096919618e+106 ] [ 7.681400769115329e-09 2.952092006657532e-08 -3.337580315890679e-09 ] [ 2.523501829819258e-08 2.879595292982381e-08 -2.433000416041374e-08 ] ] } "relaxed-potential-energy" { "source-value" -2.1164736e+98 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.390964520460411e+79 } }