{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1966766 -3.5062407 -0.8108654 ] [ 0.8043801 -5.9386454 7.565169 ] [ -10.4931916 2.7003521 6.9889925 ] [ -1.906541 8.9039818 -7.4050348 ] [ 2.6444914 -7.3331115 -16.3692824 ] [ 13.9402448 -14.7337928 11.2211881 ] [ -2.792707 19.9074564 -1.190167 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.519463891978433e-09 -5.617616876437427e-09 -1.29914958649564e-09 ] [ 1.288758990456766e-09 -9.514758819101465e-09 1.212073690420092e-08 ] [ -1.681194625909495e-08 4.326441002548184e-09 1.119760038644655e-08 ] [ -3.054615416796653e-09 1.42657514719887e-08 -1.18641736327704e-08 ] [ 4.236942294986661e-09 -1.174893980301962e-08 -2.622648156055291e-08 ] [ 2.233473430678877e-08 -2.360613835987137e-08 1.797832523141917e-08 ] [ -4.474409864144506e-09 3.189526122367534e-08 -1.906857742247674e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.529729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.167701548955976e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9982269 1.4401395 2.2522565 ] [ 1.2255356 1.4298026 4.7305097 ] [ 2.4188163 3.5788572 5.5070749 ] [ 0.9814698 3.674944 3.1611518 ] [ 4.3013489 2.4394493 2.2663009 ] [ 4.8112776 2.9855849 4.7523816 ] [ 3.3545579 4.7045995 3.1756457 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9982269e-10 1.4401395e-10 2.2522565e-10 ] [ 1.2255356e-10 1.4298026e-10 4.7305097e-10 ] [ 2.4188163e-10 3.5788572e-10 5.5070749e-10 ] [ 9.814697999999999e-11 3.674944e-10 3.1611518e-10 ] [ 4.3013489e-10 2.4394493e-10 2.2663009e-10 ] [ 4.8112776e-10 2.9855849e-10 4.7523816e-10 ] [ 3.3545579e-10 4.704599499999999e-10 3.1756457e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.34e-05 2.05e-05 7.5e-06 ] [ 0.0 -1.16e-05 4.8e-06 ] [ -2.42e-05 -3.4e-06 2.83e-05 ] [ -9.5e-06 -1.4e-05 -1.27e-05 ] [ 1.38e-05 1.42e-05 -3.2e-06 ] [ 2.42e-05 -4.3e-06 7.3e-06 ] [ 1.9e-05 -1.4e-06 -3.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.749093292672001e-14 3.28446207264e-14 1.2016324656e-14 ] [ 0.0 -1.858524880128e-14 7.69044777984e-15 ] [ -3.877267422336e-14 -5.44740051072e-15 4.534159836864e-14 ] [ -1.52206778976e-14 -2.24304726912e-14 -2.034764308416e-14 ] [ 2.211003736704e-14 2.275090801536e-14 -5.126965186560001e-15 ] [ 3.877267422336e-14 -6.889359469440001e-15 1.169588933184e-14 ] [ 3.04413557952e-14 -2.24304726912e-15 -5.110943420352001e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.737843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.803221708282094e-18 } }