{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.8670452 1.5629647 5.7482347 ] [ 6.5488738 1.6668939 -8.4340616 ] [ 0.1476289 11.2521158 0.8365853 ] [ -6.7262393 -0.4082738 5.7597528 ] [ 1.1380448 -6.9199193 5.7507855 ] [ -9.3219868 1.3728251 -4.4740386 ] [ 0.3466335 -8.5266063 -5.1872582 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.260439589421686e-08 2.504145501475686e-09 9.209687247211303e-09 ] [ 1.049245249492966e-08 2.670658435934134e-09 -1.351285631390704e-08 ] [ 2.365275721344211e-10 1.802787686929429e-08 1.340357408964954e-09 ] [ -1.077662335236616e-08 -6.541267372451751e-10 9.22814127774734e-09 ] [ 1.823348771983012e-09 -1.10869329202827e-08 9.213774079335638e-09 ] [ -1.49354693103662e-08 2.199508279667422e-09 -7.168200045476763e-09 ] [ 5.553680896860768e-10 -1.366112926862599e-08 -8.31090381409309e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.53644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.853782997526196e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2619866 3.0727748 1.6829283 ] [ 2.551929 2.6159127 3.8215079 ] [ 3.5653485 1.3967703 2.2817254 ] [ 4.7412366 2.7646014 3.5586672 ] [ 3.1515656 4.9035058 0.8189047 ] [ 4.4555433 3.2217531 1.4195768 ] [ 3.4401574 4.4432629 2.9623488 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2619866e-10 3.0727748e-10 1.6829283e-10 ] [ 2.551929e-10 2.6159127e-10 3.8215079e-10 ] [ 3.5653485e-10 1.3967703e-10 2.2817254e-10 ] [ 4.7412366e-10 2.7646014e-10 3.5586672e-10 ] [ 3.1515656e-10 4.9035058e-10 8.189047e-11 ] [ 4.455543300000001e-10 3.2217531e-10 1.4195768e-10 ] [ 3.4401574e-10 4.4432629e-10 2.9623488e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.52e-05 0.0001708 -6.66e-05 ] [ 7.69e-05 -2e-05 -1.11e-05 ] [ 5.61e-05 -0.0001171 7.75e-05 ] [ -3.55e-05 -5.32e-05 -1.42e-05 ] [ -2.8e-05 -5.54e-05 6.24e-05 ] [ 3.44e-05 1.98e-05 2.25e-05 ] [ -4.87e-05 5.51e-05 -7.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.844014946816001e-14 2.7365176683264e-13 -1.0670496294528e-13 ] [ 1.2320738213952e-13 -3.2043532416e-14 -1.778416049088e-14 ] [ 8.988210842688002e-14 -1.8761488229568e-13 1.24168688112e-13 ] [ -5.68772700384e-14 -8.523579622656e-14 -2.275090801536e-14 ] [ -4.48609453824e-14 -8.876058479231999e-14 9.997582113791999e-14 ] [ 5.511487575552001e-14 3.172309709184e-14 3.604897396800001e-14 ] [ -7.802600143296e-14 8.827993180608e-14 -1.129534517664e-13 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }