{ "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" [ [ 2.690681 1.842727 3.696963 ] [ 2.658202 3.646198 2.018485 ] [ 5.329976 0.2810446 1.792372 ] [ 5.111587 2.700534 2.069297 ] [ 3.393505 1.493232 0.8693091 ] [ 5.014849 1.504764 3.993476 ] [ 3.843884 3.656776 4.040771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.690681e-10 1.842727e-10 3.696963e-10 ] [ 2.658202e-10 3.646198e-10 2.018485e-10 ] [ 5.329976000000001e-10 2.810446e-11 1.792372e-10 ] [ 5.111587e-10 2.700534e-10 2.069297e-10 ] [ 3.393505e-10 1.493232e-10 8.693091e-11 ] [ 5.014849e-10 1.504764e-10 3.993476e-10 ] [ 3.843884e-10 3.656776e-10 4.040771000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.9070522 -36.5678709 1.5891504 ] [ -6.3654625 8.3999083 -12.8881444 ] [ 4.4792149 -9.6182093 -0.9944335 ] [ 8.6252723 16.7386798 -13.6335252 ] [ -7.4083734 -1.1457955 -5.6320054 ] [ 8.2765254 -16.6991317 17.2851608 ] [ 17.2998754 38.8924192 14.2737973 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.990549705665829e-08 -5.858818831110855e-08 2.546099638791754e-09 ] [ -1.019859528210322e-08 1.345813680600266e-08 -2.064908381329795e-08 ] [ 7.176493451444645e-09 -1.541007020138149e-08 -1.593258117766839e-09 ] [ 1.381920974094744e-08 2.681832165956779e-08 -2.184331551449017e-08 ] [ -1.186952275742713e-08 -1.835766777442347e-09 -9.023467454441821e-09 ] [ 1.32604556065875e-08 -2.675495861782869e-08 2.769388074869274e-08 ] [ 2.77174561369914e-08 6.231252528197297e-08 2.286914451251229e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.805749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.731271856066886e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4328816 1.6433952 3.5736466 ] [ 2.6453815 3.7993782 1.8668103 ] [ 5.5016501 0.2979254 1.764851 ] [ 5.2596525 2.9913579 1.8940563 ] [ 3.1800515 1.2829006 1.055168 ] [ 5.0016382 1.2988733 4.1337587 ] [ 4.0214286 3.8114451 4.1923822 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4328816e-10 1.6433952e-10 3.5736466e-10 ] [ 2.6453815e-10 3.7993782e-10 1.8668103e-10 ] [ 5.5016501e-10 2.979254e-11 1.764851e-10 ] [ 5.2596525e-10 2.9913579e-10 1.8940563e-10 ] [ 3.1800515e-10 1.2829006e-10 1.055168e-10 ] [ 5.0016382e-10 1.2988733e-10 4.1337587e-10 ] [ 4.0214286e-10 3.8114451e-10 4.1923822e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.82e-05 -4.4e-06 3.44e-05 ] [ -4.2e-06 1.47e-05 -2.09e-05 ] [ 5.5e-06 6.2e-05 -2e-05 ] [ 5.5e-05 -1.4e-05 -1.17e-05 ] [ 2.35e-05 -4.37e-05 4.98e-05 ] [ -4.9e-06 -4.02e-05 -4.38e-05 ] [ 3.5e-06 2.56e-05 1.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.252902127788e-13 -7.0495771896e-15 5.51148762096e-14 ] [ -6.729141862799999e-15 2.35519965198e-14 -3.34854916506e-14 ] [ 8.811971486999999e-15 9.933495130799999e-14 -3.204353268e-14 ] [ 8.811971486999999e-14 -2.243047287599999e-14 -1.87454666178e-14 ] [ 3.765115089899999e-14 -7.001511890579999e-14 7.978839637319999e-14 ] [ -7.850665506599998e-15 -6.44075006868e-14 -7.01753365692e-14 ] [ 5.607618218999999e-15 4.10157218304e-14 1.95465549348e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.952085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.997764755658189e-18 } }