{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1343961 -3.3820502 -2.5338008 ] [ 1.8962493 1.226214 0.9511803 ] [ 4.0100057 -2.9556128 0.0396607 ] [ -3.4908133 1.5892846 -3.6230848 ] [ 0.2091037 1.9061264 -0.6380504 ] [ -2.2723852 -1.8613718 2.7775034 ] [ 1.782236 3.4774099 3.0265917 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.419679559120727e-09 -5.418641805455027e-09 -4.059596436970507e-09 ] [ 3.038126320698856e-09 1.964611419083675e-09 1.52395885138111e-09 ] [ 6.424737434746813e-09 -4.735413767311315e-09 6.35434468280838e-11 ] [ -5.592899502916432e-09 2.546314650896036e-09 -5.804821809560563e-09 ] [ 3.350210622229458e-10 3.053951179530537e-09 -1.022269442194353e-09 ] [ -3.640762470887417e-09 -2.982246405146521e-09 4.450051048335555e-09 ] [ 2.855456875473624e-09 5.571424888620277e-09 4.849134502398337e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.001226 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.486291002055328e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5754528 2.5558295 1.5086659 ] [ 1.3091532 2.2145002 3.4766237 ] [ 3.2216285 3.2353834 4.5297515 ] [ 1.5048148 4.5118186 3.5076523 ] [ 4.8631147 2.5167581 2.1303449 ] [ 3.3937718 1.2050826 3.329287 ] [ 3.6058772 4.4288165 2.5230347 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5754528e-10 2.5558295e-10 1.5086659e-10 ] [ 1.3091532e-10 2.2145002e-10 3.4766237e-10 ] [ 3.2216285e-10 3.2353834e-10 4.5297515e-10 ] [ 1.5048148e-10 4.5118186e-10 3.5076523e-10 ] [ 4.8631147e-10 2.5167581e-10 2.1303449e-10 ] [ 3.3937718e-10 1.2050826e-10 3.329287e-10 ] [ 3.6058772e-10 4.4288165e-10 2.5230347e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.43e-05 3.3e-06 3.08e-05 ] [ 7.7e-06 -1.61e-05 -1.78e-05 ] [ -3.52e-05 3.41e-05 -5.59e-05 ] [ 1.63e-05 -6.2e-06 2.8e-06 ] [ 1.7e-06 -2.17e-05 -3.42e-05 ] [ 1.19e-05 -2.43e-05 2.53e-05 ] [ 1.19e-05 3.09e-05 4.89e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.29111258662e-14 5.2871828922e-15 4.93470403272e-14 ] [ 1.23367600818e-14 -2.579504380739999e-14 -2.851874408519999e-14 ] [ -5.63966175168e-14 5.46342232194e-14 -8.956167384059998e-14 ] [ 2.61154791342e-14 -9.9334951308e-15 4.486094575199999e-15 ] [ 2.7237002778e-15 -3.476723295779999e-14 -5.479444088279999e-14 ] [ 1.90659019446e-14 -3.893289220619999e-14 4.053506884019999e-14 ] [ 1.90659019446e-14 4.950725799059999e-14 7.834643740259999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.311325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.856409666058004e-18 } }