{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0050193 3.6797446 2.0229019 ] [ 5.7520777 -2.9666036 -3.8220289 ] [ -0.4434796 -1.5277822 -0.2932333 ] [ -4.074001 -6.244076 2.980505 ] [ 4.601537 -0.7157749 4.4246815 ] [ 3.0201442 5.5839089 -0.9285023 ] [ -3.8512589 2.1905831 -4.3843239 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.018924909112782e-09 5.895600768635048e-09 3.2410461303519e-09 ] [ 9.215844411965037e-09 -4.753022931101115e-09 -6.123565347601941e-09 ] [ -7.105326469217356e-10 -2.44777692251439e-09 -4.698115377000327e-10 ] [ -6.527269155315821e-09 -1.000411258569838e-08 4.775295429177504e-09 ] [ 7.37247500114617e-09 -1.146797810535458e-09 7.089121253786276e-09 ] [ 4.83880442868472e-09 8.946408292257046e-09 -1.487624677419028e-09 ] [ -6.170396970227925e-09 3.509701028739589e-09 -7.024461250594677e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1553257 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.861918929949395e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8910976 3.5797092 2.9440272 ] [ 5.9827001 1.5168449 1.3465967 ] [ 3.6206996 1.4536933 0.9735319 ] [ 3.3728294 1.7773431 3.4714784 ] [ 5.5558554 2.8320259 3.2987795 ] [ 4.947308 4.6894799 1.9681631 ] [ 3.0489149 3.8135241 0.86371 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8910976e-10 3.5797092e-10 2.9440272e-10 ] [ 5.9827001e-10 1.5168449e-10 1.3465967e-10 ] [ 3.6206996e-10 1.4536933e-10 9.735319e-11 ] [ 3.3728294e-10 1.7773431e-10 3.4714784e-10 ] [ 5.5558554e-10 2.8320259e-10 3.2987795e-10 ] [ 4.947308e-10 4.689479900000001e-10 1.9681631e-10 ] [ 3.0489149e-10 3.8135241e-10 8.6371e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.39e-05 4.6e-06 1.29e-05 ] [ 1.84e-05 -9.3e-06 5e-07 ] [ -5.3e-06 1.55e-05 -2.44e-05 ] [ -1.42e-05 5.2e-06 -7.2e-06 ] [ -8.3e-06 1.87e-05 1.89e-05 ] [ -1.79e-05 -2.15e-05 -8.4e-06 ] [ -6.4e-06 -1.32e-05 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.431378744512e-14 7.370012455680001e-15 2.066807840832e-14 ] [ 2.948004982272e-14 -1.490024257344e-14 8.010883104e-16 ] [ -8.491536090240001e-15 2.48337376224e-14 -3.909310954752e-14 ] [ -2.275090801536e-14 8.33131842816e-15 -1.153567166976e-14 ] [ -1.329806595264e-14 2.996070280896e-14 3.028113813312e-14 ] [ -2.867896151232001e-14 -3.44467973472e-14 -1.345828361472e-14 ] [ -1.025393037312e-14 -2.114873139456e-14 1.233675998016e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }