{ "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" [ [ -2.9545634 0.6786417 2.6824081 ] [ 0.180766 0.0323745 -0.6464319 ] [ 0.4290082 -0.2189638 0.2260577 ] [ 3.0335972 -2.665813 -2.1650424 ] [ -2.5426667 1.4521816 2.8411859 ] [ -0.3366576 0.7655302 0.5563312 ] [ -0.4657182 0.4447517 -0.7531945 ] [ 2.6562343 -0.4887029 -2.7413141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.733732404151359e-09 1.087303865639967e-09 4.297691545264548e-09 ] [ 2.896190590355328e-10 5.18696670100896e-11 -1.035698077119323e-09 ] [ 6.873469081714906e-10 -3.50818681161527e-10 3.621843618918202e-10 ] [ 4.860358510764341e-09 -4.27110326402471e-09 -3.468780316320722e-09 ] [ -4.073801141226688e-09 2.326651408675938e-09 4.552081624326607e-09 ] [ -5.393849359346381e-10 1.226514588956348e-09 8.91340842061609e-10 ] [ -7.461628119210587e-10 7.125707758010553e-10 -1.206750618815146e-09 ] [ 4.255756494827053e-09 -7.829883608971603e-10 -4.392069361289394e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.131344 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.385614532288235e-18 } }