{ "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" [ [ -2.9453147 0.6602631 3.2007352 ] [ 0.0308494 0.2549397 -0.4428556 ] [ 1.260734 -0.9526707 0.5293466 ] [ 4.0686559 -3.4262789 -2.3979738 ] [ -3.277052 2.0503477 2.793254 ] [ -1.4042287 1.6508171 0.3104762 ] [ -0.4577485 0.251876 -0.8746061 ] [ 2.7241046 -0.4892941 -3.1183766 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.718914353238566e-09 1.057858102396933e-09 5.128143106811612e-09 ] [ 4.942618744570752e-11 4.084584270537658e-10 -7.095328887103565e-10 ] [ 2.019918539847667e-09 -1.52634672286117e-09 8.481067468199694e-10 ] [ 6.518705361059984e-09 -5.489503949920341e-09 -3.841977559650935e-09 ] [ -5.250416099545881e-09 3.285019149451053e-09 4.475286254756083e-09 ] [ -2.249822393396377e-09 2.644900562836856e-09 4.97437708954825e-10 ] [ -7.333939449062688e-10 4.035498385406208e-10 -1.401273445829067e-09 ] [ 4.364496702733736e-09 -7.839355677153774e-10 -4.996190083369793e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -40.377847 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.469244246163943e-18 } }