{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.167707 -23.0384088 -33.4773127 ] [ -26.4378996 30.5941941 0.7306132 ] [ -59.5479895 3.6386472 33.4084623 ] [ -17.6956977 -60.0450301 -40.7549952 ] [ 44.2076685 28.8048443 53.5251391 ] [ 54.5506486 23.799443 -32.5587957 ] [ 16.0909767 -3.7536897 19.1268888 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.789263906334451e-08 -3.691159995979298e-08 -5.363656773515092e-08 ] [ -4.235818464217767e-08 4.90173025192373e-08 1.170571387887874e-09 ] [ -9.540639659254389e-08 5.829755475179382e-09 5.352625723393819e-08 ] [ -2.835163314368433e-08 -9.620274342145229e-08 -6.529670049025623e-08 ] [ 7.08284929307766e-08 4.615044810324414e-08 8.575672649108795e-08 ] [ 8.739977383639625e-08 3.813091116266222e-08 -5.216494127194356e-08 ] [ 2.578058667457754e-08 -6.014073879077766e-09 3.064465406400137e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 28.81892 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.617299986070554e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9005001 0.226711 3.7852607 ] [ 1.3034947 2.9959592 3.8560329 ] [ 1.7931672 5.6340808 3.1301646 ] [ 2.9401751 2.2887127 1.6841947 ] [ 3.5140336 2.5428708 5.4701068 ] [ 4.0571283 4.9780153 1.6442418 ] [ 5.2659859 3.1596249 3.4363205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9005001e-10 2.26711e-11 3.7852607e-10 ] [ 1.3034947e-10 2.9959592e-10 3.8560329e-10 ] [ 1.7931672e-10 5.6340808e-10 3.1301646e-10 ] [ 2.9401751e-10 2.2887127e-10 1.6841947e-10 ] [ 3.5140336e-10 2.5428708e-10 5.4701068e-10 ] [ 4.0571283e-10 4.978015300000001e-10 1.6442418e-10 ] [ 5.2659859e-10 3.1596249e-10 3.4363205e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.2e-06 4.54e-05 3.97e-05 ] [ -1.12e-05 -8.11e-05 -6e-07 ] [ 2.32e-05 2.14e-05 -5.2e-06 ] [ -4.46e-05 -5.4e-06 1.28e-05 ] [ 1.26e-05 -2.42e-05 -7.34e-05 ] [ 4.02e-05 1.07e-05 6.3e-06 ] [ -1.39e-05 3.33e-05 2.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.93349504896e-15 7.273881858432e-14 6.360641184576e-14 ] [ -1.794437815296e-14 -1.2993652394688e-13 -9.6130597248e-16 ] [ 3.717049760256e-14 3.428657968511999e-14 -8.33131842816e-15 ] [ -7.145707728768e-14 -8.65175375232e-15 2.050786074624e-14 ] [ 2.018742542208e-14 -3.877267422336e-14 -1.1759976396672e-13 ] [ 6.440750015616e-14 1.714328984256e-14 1.009371271104e-14 ] [ -2.227025502912e-14 5.335248147264001e-14 3.268440306432e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.584883 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.977626504290337e-18 } }