{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5465902 0.4912648 -0.012425899999999997 ] [ -0.8807674 0.371986 -1.8362781999999995 ] [ -0.9636714 0.271721 -0.24150679999999994 ] [ 1.1170421 0.0363525 0.31294569999999994 ] [ -0.2900811 -1.8414671 0.6213985999999999 ] [ 0.9018006 0.8691208 1.8879013999999996 ] [ -0.851183 -1.8527782 -2.6037366999999993 ] [ 2.5134503 1.6538002 1.8717018999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.477910660398396e-09 7.870929771819879e-10 -1.990848647239872e-11 ] [ -1.411144936642802e-09 5.959872724649088e-10 -2.942042001324706e-09 ] [ -1.543971787213605e-09 4.353450335803968e-10 -3.869365487242213e-10 ] [ 1.789698737069336e-09 5.8243125607632e-11 5.013942841198905e-10 ] [ -4.647611565559469e-10 -2.950355535592376e-09 9.955903091178508e-10 ] [ 1.444843837943412e-09 1.392485026410993e-09 3.024751485455589e-09 ] [ -1.363745502622407e-09 -2.968477915567907e-09 -4.171646067458943e-09 ] [ 4.026991308202746e-09 2.649680015914365e-09 2.998797025286939e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.961268 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.761630284392318e-18 } }