{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3371625 -2.4227925 -2.26495 ] [ -5.532583 -3.7224623 21.1250422 ] [ -6.4135085 4.6866842 -5.949497 ] [ -3.8548244 -19.6749456 -3.2830188 ] [ 6.4991515 2.0454932 -13.0115152 ] [ -2.6105958 14.3233366 -0.9086754 ] [ 16.2495228 4.7646864 4.2926142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.948900415361024e-09 -3.881741532530444e-09 -3.6288499671783e-09 ] [ -8.864175208265621e-09 -5.964042118005898e-09 3.384604900510395e-08 ] [ -1.027557346066039e-08 7.508895916176982e-09 -9.532145077453097e-09 ] [ -6.176109581853069e-09 -3.152273811554111e-08 -5.259976010342718e-09 ] [ 1.041278867412605e-08 3.277241410045889e-09 -2.084674562637583e-08 ] [ -4.182635591578537e-09 2.2948515221437e-08 -1.455858493770604e-09 ] [ 2.603460574381025e-08 7.633869218417577e-09 6.877526170016602e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.0851865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.54519035583224e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.908818 2.3447669 1.6314809 ] [ 2.6444697 2.5105024 4.9936728 ] [ 1.4541479 3.9370863 3.4181362 ] [ 2.8478215 0.679537 3.2737752 ] [ 3.8793352 3.7030754 0.8415941 ] [ 3.5296815 5.1052593 2.9064078 ] [ 4.7365582 3.8961786 4.75935 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.908818e-10 2.3447669e-10 1.6314809e-10 ] [ 2.6444697e-10 2.5105024e-10 4.9936728e-10 ] [ 1.4541479e-10 3.9370863e-10 3.4181362e-10 ] [ 2.8478215e-10 6.79537e-11 3.2737752e-10 ] [ 3.8793352e-10 3.7030754e-10 8.415941e-11 ] [ 3.5296815e-10 5.105259300000001e-10 2.906407800000001e-10 ] [ 4.7365582e-10 3.8961786e-10 4.759350000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 1.49e-05 9.6e-06 ] [ 3.25e-05 -7.3e-06 -9.7e-06 ] [ -1.23e-05 1.88e-05 -3.74e-05 ] [ 2.3e-06 -2.1e-06 -2.7e-06 ] [ -2.77e-05 -4.1e-06 5.9e-06 ] [ 3.4e-06 -2.98e-05 -3.1e-06 ] [ 8e-07 9.5e-06 3.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-15 2.38724318466e-14 1.53808956864e-14 ] [ 5.207074060499999e-14 -1.16958894282e-14 -1.55411133498e-14 ] [ -1.97067725982e-14 3.012092071919999e-14 -5.99214061116e-14 ] [ 3.685006258199999e-15 -3.364570931399999e-15 -4.3258769118e-15 ] [ -4.438029276179999e-14 -6.568924199399999e-15 9.452842140600001e-15 ] [ 5.4474005556e-15 -4.77448636932e-14 -4.9667475654e-15 ] [ 1.2817413072e-15 1.5220678023e-14 5.99214061116e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.894908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.347733336717967e-18 } }