{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45189 0 0 ] "si-unit" "m" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103872 5.48254 0 ] "si-unit" "m" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0133572 0.0848103 5.46172 ] "si-unit" "m" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515087 0.139447 0.129479 ] [ 1.28089 1.29793 1.3896 ] [ -0.0267641 2.78569 2.67144 ] [ 1.28772 4.21003 3.97686 ] [ 2.71226 0.0930415 2.84614 ] [ 4.11731 1.46571 4.11351 ] [ 2.72029 2.73709 -0.0733662 ] [ 4.08924 4.18171 1.22387 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15087e-12 1.39447e-11 1.29479e-11 ] [ 1.28089e-10 1.29793e-10 1.3896e-10 ] [ -2.67641e-12 2.78569e-10 2.67144e-10 ] [ 1.28772e-10 4.21003e-10 3.97686e-10 ] [ 2.71226e-10 9.304150000000001e-12 2.84614e-10 ] [ 4.11731e-10 1.46571e-10 4.11351e-10 ] [ 2.72029e-10 2.73709e-10 -7.336620000000001e-12 ] [ 4.089240000000001e-10 4.18171e-10 1.22387e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8699697 -1.9771307 -2.5092752 ] [ 1.7163593 2.1244461 1.1271084 ] [ -0.264128 -0.261732 -0.3331345 ] [ 0.8253412 0.293987 1.4671863 ] [ -0.4616128 -0.5104158 -1.5082074 ] [ 0.1148785 0.263758 0.3124277 ] [ -0.5326631 -0.1737731 0.023168 ] [ 0.4717946 0.2408605 1.4207267 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.99602173494439e-09 -3.167712583805939e-09 -4.020302060593244e-09 ] [ 2.749910743352653e-09 3.403737873569739e-09 1.805826727587295e-09 ] [ -4.231797064986624e-10 -4.193408913152256e-10 -5.337403074818976e-10 ] [ 1.322342374823017e-09 4.710190982191296e-10 2.350691588218055e-09 ] [ -7.395852360220263e-10 -8.177762616469286e-10 -2.416414635597554e-09 ] [ 1.840556469325728e-10 4.225869011489664e-10 5.005643566303161e-10 ] [ -8.534203655828524e-10 -2.784151981439405e-10 3.71192279506944e-11 ] [ 7.558982779396877e-10 3.859010619741984e-10 2.276255103286335e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.741782 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.886682412693027e-18 } }