{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8879282 1.8736087 3.9811258 ] [ -0.1310369 0.1865862 -0.5447187 ] [ 0.9453139 -0.4593031 0.2283064 ] [ 4.179379 -4.0418242 -3.4313551 ] [ -3.4885794 2.4283473 3.993481 ] [ -0.7128633 1.0012151 0.7022601 ] [ -0.3230953 0.3840348 -1.1255532 ] [ 3.4188102 -1.3726647 -3.8035463 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.229147716709679e-09 3.001852080399116e-09 6.378466733774557e-09 ] [ -2.099442593717946e-10 2.989440498668508e-10 -8.727355732428558e-10 ] [ 1.514559842375413e-09 -7.358846947437654e-10 3.657871794726576e-10 ] [ 6.696103378430284e-09 -6.475716291975742e-09 -5.497636964176733e-09 ] [ -5.589320400533739e-09 3.890641303296988e-09 6.398261946522953e-09 ] [ -1.142132922496132e-09 1.604123438827973e-09 1.125144723210503e-09 ] [ -5.176557402152201e-10 6.152915832028631e-10 -1.803335037363929e-09 ] [ 5.477537818520866e-09 -2.199251308656619e-09 -6.093953008197154e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.909575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.593130536787054e-18 } }