{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5423184 -1.4146949 2.7550569 ] [ -2.243204 0.7081053 0.2429134 ] [ -2.3655992 2.4778627 -2.6115916 ] [ -0.4136292 2.6336828 0.8411538 ] [ 4.0270106 -2.1737777 -1.8465433 ] [ -0.5045871 -2.0725247 2.3070512 ] [ -0.0423096 -0.1586535 -1.6880403 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.471066482309663e-09 -2.266591094344994e-09 4.414087754153724e-09 ] [ -3.594009004485043e-09 1.13450975672457e-09 3.891901703590387e-10 ] [ -3.790107732423184e-09 3.969973687492364e-09 -4.184231004597666e-09 ] [ -6.627070339202073e-10 4.219625008763082e-09 1.347676952857079e-09 ] [ 6.45198223503378e-09 -3.482775809756396e-09 -2.958488504554881e-09 ] [ -8.084376547772716e-10 -3.320550620370534e-09 3.696303495628585e-09 ] [ -6.778745195539968e-11 -2.541909285080928e-10 -2.704538703628218e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.332443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.539357778474862e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5272299 2.992506 3.5775342 ] [ 2.8652025 5.4322632 0.9967855 ] [ 1.0841568 4.0093758 1.5386181 ] [ 2.209337 5.2237494 3.2549076 ] [ 3.2083041 3.0778248 1.1186747 ] [ 4.9353894 4.6067679 1.6393849 ] [ 3.8047791 3.4880458 3.3566479 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5272299e-10 2.992506e-10 3.5775342e-10 ] [ 2.8652025e-10 5.4322632e-10 9.967855e-11 ] [ 1.0841568e-10 4.0093758e-10 1.5386181e-10 ] [ 2.209337e-10 5.2237494e-10 3.2549076e-10 ] [ 3.2083041e-10 3.0778248e-10 1.1186747e-10 ] [ 4.935389400000001e-10 4.606767900000001e-10 1.6393849e-10 ] [ 3.8047791e-10 3.4880458e-10 3.3566479e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.2e-06 3.8e-05 -1.31e-05 ] [ -4.8e-06 -1.23e-05 2.16e-05 ] [ 3.02e-05 -3.14e-05 5.7e-06 ] [ 1.1e-05 3.6e-06 2.76e-05 ] [ 9.5e-06 -4.4e-06 -2.07e-05 ] [ -7.1e-06 7.6e-06 -1.5e-05 ] [ -3.47e-05 -1e-06 -6.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.72914180736e-15 6.08827115904e-14 -2.098851373248e-14 ] [ -7.69044777984e-15 -1.970677243584e-14 3.460701500928e-14 ] [ 4.838573394816e-14 -5.030834589312e-14 9.13240673856e-15 ] [ 1.76239428288e-14 5.76783583488e-15 4.422007473408001e-14 ] [ 1.52206778976e-14 -7.04957713152e-15 -3.316505605055999e-14 ] [ -1.137545400768e-14 1.217654231808e-14 -2.4032649312e-14 ] [ -5.559552874176001e-14 -1.6021766208e-15 -9.93349504896e-15 ] ] } "relaxed-potential-energy" { "source-value" -30.311464 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.856431896302086e-18 } }