{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.16106000000000004 -1.0193442000000001 0.5148752000000001 ] [ -0.7444882000000002 0.4797085000000001 0.9747398000000003 ] [ 0.06545790000000001 0.22540220000000005 -0.8817388000000003 ] [ -0.4322276000000001 1.6608818000000005 -1.4564842000000002 ] [ -0.30692320000000006 -0.17256700000000003 0.4058398000000001 ] [ -1.7804971000000005 0.15730760000000002 -0.19362610000000005 ] [ 0.6818956000000002 -1.9957810000000005 -1.0406454000000003 ] [ 2.3557225000000006 0.6643919000000001 1.6770397000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.580465665460481e-10 -1.63316944578808e-09 8.249210080697243e-10 ] [ -1.192801588501475e-09 7.68577743499037e-10 1.561705318923268e-09 ] [ 1.048751170266643e-10 3.611341351168858e-10 -1.412701291012248e-09 ] [ -6.925049555844943e-10 2.661025989872222e-09 -2.333544933804592e-09 ] [ -4.917451754211227e-10 -2.764828129215936e-10 6.50227039350148e-10 ] [ -2.8526708270222e-09 2.520345589941581e-10 -3.10223210596683e-10 ] [ 1.092517188146389e-09 -3.197593658436845e-09 -1.667297730423065e-09 ] [ 3.774283514592529e-09 1.064473169228892e-09 2.686913799493446e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.164584 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.794205098575775e-18 } }