{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.8589347 -9.0457388 -16.8258511 ] [ -10.0352362 -5.7364573 29.4015097 ] [ -22.5575693 9.5267175 0.8201008 ] [ 3.7936397 -48.9444989 1.306196 ] [ 12.7144501 5.0705484 -24.3785068 ] [ 3.1978738 47.3407954 -3.1896947 ] [ 26.7457764 1.7886336 12.8662461 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.220446116553386e-08 -1.449287122322345e-08 -2.695798525748197e-08 ] [ -1.607822082384583e-08 -9.190817772277491e-09 4.710641145756442e-08 ] [ -3.614121015453582e-08 1.526348405146622e-08 1.313946328459377e-09 ] [ 6.078080835078726e-09 -7.841773185435132e-08 2.092756693382477e-09 ] [ 2.037079469654822e-08 8.123914101114847e-09 -3.905867364497382e-08 ] [ 5.123558638628856e-09 7.584831559995617e-08 -5.11045427582967e-09 ] [ 4.285145765322439e-08 2.865706937097339e-09 2.061399869887918e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 24.914678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.99177146063601e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0347831 1.8457885 1.1721147 ] [ 2.8228741 2.5351582 4.8312732 ] [ 1.5161436 4.4603518 4.4073416 ] [ 2.1410367 0.9788637 3.1860791 ] [ 4.1486159 3.8210431 1.8439508 ] [ 2.4099465 5.3272834 2.3934081 ] [ 4.9274321 3.2079174 3.9902495 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0347831e-10 1.8457885e-10 1.1721147e-10 ] [ 2.8228741e-10 2.5351582e-10 4.8312732e-10 ] [ 1.5161436e-10 4.4603518e-10 4.4073416e-10 ] [ 2.1410367e-10 9.788637000000001e-11 3.1860791e-10 ] [ 4.148615900000001e-10 3.8210431e-10 1.8439508e-10 ] [ 2.4099465e-10 5.3272834e-10 2.3934081e-10 ] [ 4.9274321e-10 3.2079174e-10 3.9902495e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.26e-05 -2.59e-05 2.95e-05 ] [ 1.59e-05 1.76e-05 -1.98e-05 ] [ 2.88e-05 -1.8e-06 -5.7e-06 ] [ 1.26e-05 3.79e-05 -4.1e-05 ] [ -1.2e-05 3.43e-05 2.84e-05 ] [ 6e-07 -5.41e-05 -2.6e-06 ] [ -2.34e-05 -8e-06 1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.620919163008e-14 -4.149637447872e-14 4.72642103136e-14 ] [ 2.547460827072e-14 2.819830852608e-14 -3.172309709184e-14 ] [ 4.614268667904e-14 -2.88391791744e-15 -9.13240673856e-15 ] [ 2.018742542208e-14 6.072249392832e-14 -6.56892414528e-14 ] [ -1.92261194496e-14 5.495465809344e-14 4.550181603071999e-14 ] [ 9.6130597248e-16 -8.667775518528e-14 -4.16565921408e-15 ] [ -3.749093292672001e-14 -1.28174129664e-14 1.794437815296e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }