{ "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" [ [ -1.6536588 0.3900845 2.5948591 ] [ -0.621029 0.8713808 0.2894734 ] [ 0.9741991 -0.0961726 0.5987086 ] [ 2.0287287 -1.3572624 -1.4843238 ] [ -1.3890867 0.4049553 1.6451161 ] [ -1.0120421 0.6188964 0.4814977 ] [ 0.0642362 -0.3474909 -1.4044196 ] [ 1.6086525 -0.4843911 -2.7209115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.649453468140183e-09 6.249842660364575e-10 4.157422584290129e-09 ] [ -9.949981446388034e-10 1.396105945574001e-09 4.637875138234867e-10 ] [ 1.560839022024401e-09 -1.540854912815501e-10 9.59236921591899e-10 ] [ 3.250381693085977e-09 -2.174574085570898e-09 -2.378148890057015e-09 ] [ -2.225562235004224e-09 6.488099141290504e-10 2.635766553921675e-09 ] [ -1.621470191885336e-09 9.915813427772851e-10 7.714443579089721e-10 ] [ 1.02917737849033e-10 -5.567417959207507e-10 -2.250128248913288e-09 ] [ 2.577345426491472e-09 -7.760800957435949e-10 -4.359380792565859e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 155.38456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.489535092652948e-17 } }