{ "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" [ [ 2.396346 1.355978 3.097514 ] [ 1.884272 1.266952 5.391976 ] [ 2.390434 4.172173 2.083104 ] [ 1.306064 3.125616 3.893724 ] [ 3.942091 2.333761 1.80322 ] [ 3.489943 3.083092 4.017618 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.396346e-10 1.355978e-10 3.097514e-10 ] [ 1.884272e-10 1.266952e-10 5.391976e-10 ] [ 2.390434e-10 4.172173e-10 2.083104e-10 ] [ 1.306064e-10 3.125616e-10 3.893724e-10 ] [ 3.942091e-10 2.333761e-10 1.80322e-10 ] [ 3.489943e-10 3.083092e-10 4.017618e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.19216 -4.6806669 -0.2959863 ] [ 0.6398529 1.1361566 -0.611599 ] [ 0.9738389 0.218788 0.1992406 ] [ -3.0985389 0.972448 0.5345727 ] [ 0.365473 1.3749907 -0.5578414 ] [ 2.311534 0.9782836 0.7316133 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.910050880252928e-09 -7.499255076932411e-09 -4.74222329937095e-10 ] [ 1.02515735713108e-09 1.820323542087617e-09 -9.798896191046593e-10 ] [ 1.560261918005589e-09 3.505370185115904e-10 3.192186312341645e-10 ] [ -4.964406584219349e-09 1.558033450543719e-09 8.564798820579322e-10 ] [ 5.855522961336383e-10 2.202977953357426e-09 -8.937604491943412e-10 ] [ 3.703485732984307e-09 1.567383112432059e-09 1.172173724726337e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.267057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.727793476022099e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2543982 1.2134774 2.9852969 ] [ 2.1274974 1.5302953 5.3047388 ] [ 2.4829263 4.1377415 2.2524699 ] [ 1.1024141 3.0623636 3.8125785 ] [ 3.9447314 2.3598387 1.8535516 ] [ 3.4971825 3.0338554 4.0785202 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2543982e-10 1.2134774e-10 2.9852969e-10 ] [ 2.1274974e-10 1.5302953e-10 5.3047388e-10 ] [ 2.4829263e-10 4.1377415e-10 2.2524699e-10 ] [ 1.1024141e-10 3.0623636e-10 3.8125785e-10 ] [ 3.9447314e-10 2.3598387e-10 1.8535516e-10 ] [ 3.4971825e-10 3.0338554e-10 4.0785202e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.17e-05 3.7e-06 6.37e-05 ] [ -1.05e-05 2.55e-05 -0.0001086 ] [ -8.6e-06 2.64e-05 1.39e-05 ] [ 1.95e-05 -6.99e-05 -1.7e-06 ] [ -3.8e-06 -3.47e-05 -1.8e-05 ] [ 4.52e-05 4.89e-05 5.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.681076508736e-14 5.928053496960001e-15 1.0205865074496e-13 ] [ -1.68228545184e-14 4.08555038304e-14 -1.7399638101888e-13 ] [ -1.377871893888e-14 4.229746278912e-14 2.227025502912e-14 ] [ 3.12424441056e-14 -1.1199214579392e-13 -2.72370025536e-15 ] [ -6.08827115904e-15 -5.559552874176001e-14 -2.88391791744e-14 ] [ 7.241838326016e-14 7.834643675712001e-14 8.123035467456e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.45441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.918028397745773e-18 } }