{ "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" [ [ -0.6605815 0.9082681 1.2028749 ] [ 1.0994549 0.4672275 -0.2766061 ] [ -1.9292634 -0.2388799 -0.5968654 ] [ 0.6698087 0.3038642 -0.0873124 ] [ -0.1373552 -0.3265818 -1.5522633 ] [ 1.9708582 -1.7593977 1.3782657 ] [ -1.0129216 0.6454996 -0.0680933 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.058368244152671e-09 1.455205927227575e-09 1.927218058405087e-09 ] [ 1.761520950916806e-09 7.485809832622349e-10 -4.431718302418674e-10 ] [ -3.091020740311395e-09 -3.827277941122566e-10 -9.562837975230636e-10 ] [ 1.073151848389916e-09 4.868441211491027e-10 -1.398898871384616e-10 ] [ -2.200672919983968e-10 -5.232417290496611e-10 -2.486999989075731e-09 ] [ 3.157662956967298e-09 -2.818865884853341e-09 2.208225099983653e-09 ] [ -1.622879319593894e-09 1.034204376376346e-09 -1.090974941919522e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.308553 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.09357124529506e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0454168 1.5640651 2.2778018 ] [ 1.9666997 1.6186802 4.6596799 ] [ 2.2654905 3.881728 5.342529 ] [ 1.1183389 3.5147306 3.2867358 ] [ 4.1958361 2.5391345 2.2956069 ] [ 4.1739046 2.6194945 4.6779564 ] [ 3.3255463 4.5155442 3.3050112 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0454168e-10 1.5640651e-10 2.2778018e-10 ] [ 1.9666997e-10 1.6186802e-10 4.6596799e-10 ] [ 2.2654905e-10 3.881728e-10 5.342529e-10 ] [ 1.1183389e-10 3.5147306e-10 3.2867358e-10 ] [ 4.1958361e-10 2.5391345e-10 2.2956069e-10 ] [ 4.1739046e-10 2.6194945e-10 4.6779564e-10 ] [ 3.3255463e-10 4.5155442e-10 3.3050112e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-06 1.43e-05 2.33e-05 ] [ -2.29e-05 -7e-07 -9.5e-06 ] [ 1e-06 -2.21e-05 -7.2e-06 ] [ -1.1e-05 -1.73e-05 2.4e-06 ] [ -7e-07 -1.31e-05 1.55e-05 ] [ 1.05e-05 1.26e-05 -2.1e-05 ] [ 1.81e-05 2.62e-05 -3.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883169999999e-15 2.29111258662e-14 3.733071557219999e-14 ] [ -3.66898449186e-14 -1.1215236438e-15 -1.5220678023e-14 ] [ 1.602176634e-15 -3.54081036114e-14 -1.15356717648e-14 ] [ -1.7623942974e-14 -2.77176557682e-14 3.845223921599999e-15 ] [ -1.1215236438e-15 -2.09885139054e-14 2.4833737827e-14 ] [ 1.6822854657e-14 2.01874255884e-14 -3.364570931399999e-14 ] [ 2.899939707539999e-14 4.197702781079999e-14 -5.4474005556e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }