{ "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" [ [ 0.5286717 0.5459164 0.2171681 ] [ 0.0530602 2.45185 0.0097729 ] [ 0.1982568 1.952172 2.366336 ] [ 2.940741 0.007829 0.5912968 ] [ 2.574768 0.9414562 2.330693 ] [ 2.158325 2.742494 1.504322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.286717e-11 5.459164e-11 2.171681e-11 ] [ 5.30602e-12 2.45185e-10 9.7729e-13 ] [ 1.982568e-11 1.952172e-10 2.366336e-10 ] [ 2.940741e-10 7.828999999999999e-13 5.912968e-11 ] [ 2.574768e-10 9.414562e-11 2.330693e-10 ] [ 2.158325e-10 2.742494e-10 1.504322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2992599 -5.8623615 -0.3159552 ] [ -0.7604171 4.7966856 -0.7164177 ] [ -1.2545404 -0.1328044 1.0708746 ] [ -0.3466679 -1.5925917 -3.0441789 ] [ 0.7583974 -1.269958 4.2829177 ] [ 0.3039682 4.0610301 -1.2772404 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.081643836122946e-09 -9.392538537978018e-09 -5.062160346601882e-10 ] [ -1.218322499676536e-09 7.68513752564802e-09 -1.147827689667308e-09 ] [ -2.00999529872908e-09 -2.127761048193715e-10 1.715730247928552e-09 ] [ -5.554232045618322e-10 -2.551613188220128e-09 -4.877312263112661e-09 ] [ 1.215086583555506e-09 -2.034697016997926e-09 6.861990607750508e-09 ] [ 4.870107435066586e-10 6.506487482585087e-09 -2.046364708021241e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.350147 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.818494016604326e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4257209 0.2330167 0.0418948 ] [ 0.2700953 2.7798664 0.3919856 ] [ 0.1659507 1.2176954 2.2366804 ] [ 2.6709859 -0.1914552 0.7185803 ] [ 2.461718 1.3306146 2.4357894 ] [ 2.4593518 3.2719799 1.1946584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.257209000000001e-11 2.330167e-11 4.18948e-12 ] [ 2.700953e-11 2.7798664e-10 3.919856e-11 ] [ 1.659507e-11 1.2176954e-10 2.2366804e-10 ] [ 2.6709859e-10 -1.914552e-11 7.185803e-11 ] [ 2.461718e-10 1.3306146e-10 2.4357894e-10 ] [ 2.4593518e-10 3.2719799e-10 1.1946584e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-06 -1.28e-05 1.15e-05 ] [ -5.6e-06 4.27e-05 -8.5e-06 ] [ 1.63e-05 -8.3e-06 -1.19e-05 ] [ -1.3e-06 -7.2e-06 -5.5e-06 ] [ 4.2e-06 1.37e-05 1.07e-05 ] [ -1.86e-05 -2.8e-05 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.17110076608e-15 -2.050786074624e-14 1.84250311392e-14 ] [ -8.972189076479999e-15 6.841294170816001e-14 -1.36185012768e-14 ] [ 2.611547891904e-14 -1.329806595264e-14 -1.906590178752e-14 ] [ -2.08282960704e-15 -1.153567166976e-14 -8.8119714144e-15 ] [ 6.72914180736e-15 2.194981970496e-14 1.714328984256e-14 ] [ -2.980048514688e-14 -4.48609453824e-14 6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.296262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.290513674123145e-18 } }