{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4008083 0.5190667 2.588988 ] [ 0.3705603 2.591564 0.7446841 ] [ 2.694344 0.0700188 2.876141 ] [ 2.159519 1.331763 1.766469 ] [ 2.561241 2.816208 0.1583109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.008083e-11 5.190667e-11 2.588988e-10 ] [ 3.705603e-11 2.591564e-10 7.446841e-11 ] [ 2.694344e-10 7.001880000000001e-12 2.876141e-10 ] [ 2.159519e-10 1.331763e-10 1.766469e-10 ] [ 2.561241e-10 2.816208e-10 1.583109e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.2799307 -5.3690166 5.6421839 ] [ -13.6154723 7.6452656 -5.398484 ] [ 15.7885166 -16.8191647 13.9924188 ] [ 10.0265731 8.730349 -6.6925813 ] [ 7.0803134 5.8125667 -7.5435373 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.088985421818418e-08 -8.602112873207105e-09 9.039775134834167e-09 ] [ -2.181439140021001e-08 1.224906580412649e-08 -8.649324852562867e-09 ] [ 2.52959921736327e-08 -2.694727246372465e-08 2.241832626980239e-08 ] [ 1.606434100756218e-08 1.398756105922466e-08 -1.072269729166327e-08 ] [ 1.134391259741696e-08 9.312758473580607e-09 -1.208607910019275e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.519312 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.845597237410089e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0538297 1.3128768 2.3891987 ] [ 0.0371135 2.3371235 0.1787757 ] [ 3.3965015 -0.5212824 2.5447258 ] [ 2.3579426 1.5874465 2.6160006 ] [ 2.4487447 2.6124561 0.4058922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.38297e-12 1.3128768e-10 2.3891987e-10 ] [ 3.71135e-12 2.3371235e-10 1.787757e-11 ] [ 3.3965015e-10 -5.212824e-11 2.5447258e-10 ] [ 2.3579426e-10 1.5874465e-10 2.6160006e-10 ] [ 2.4487447e-10 2.6124561e-10 4.058922e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.9e-06 -1.81e-05 4.21e-05 ] [ 3.84e-05 -1.09e-05 -2.18e-05 ] [ -1.44e-05 -8.4e-06 -3.76e-05 ] [ -1.99e-05 4.01e-05 3.09e-05 ] [ -2e-07 -2.7e-06 -1.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.24848882112e-15 -2.899939683648e-14 6.745163573568001e-14 ] [ 6.152358223872e-14 -1.746372516672e-14 -3.492745033344e-14 ] [ -2.307134333952e-14 -1.345828361472e-14 -6.024184094208e-14 ] [ -3.188331475392e-14 6.424728249408e-14 4.950725758272e-14 ] [ -3.2043532416e-16 -4.32587687616e-15 -2.178960204288e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.419499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.669387769824898e-18 } }