{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0286704 0.0948991 -1.690372 ] [ -1.2151207 -0.4034532 -0.7276197 ] [ -1.1329863 -0.0855006 -0.5096131 ] [ 0.233186 1.7133667 0.9902235 ] [ 0.6650806 -0.199891 0.6224013 ] [ 0.4108792 -1.2500677 -0.4594147 ] [ -1.1213387 0.3775921 0.2325086 ] [ 0.1316294 -0.2469454 1.5418861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.250288286188985e-09 1.520451193549613e-10 -2.708274498854938e-09 ] [ -1.94683797699013e-09 -6.464032846269465e-10 -1.16577527217351e-09 ] [ -1.815244161546695e-09 -1.369870623843725e-10 -8.164901944734126e-10 ] [ 3.736051574978688e-10 2.745116069597247e-09 1.586512941066749e-09 ] [ 1.065576588267637e-09 -3.202606869083328e-10 9.971968116155273e-10 ] [ 6.583010482130074e-10 -2.002829243357228e-09 -7.360634915918458e-10 ] [ -1.796582649138265e-09 6.049692348187757e-10 3.725198430549389e-10 ] [ 2.108935472899315e-10 -3.956501464941043e-10 2.470373861356491e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 136.6669 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.189645120172115e-17 } }