{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.18807059999999998 -0.6299563999999999 1.0762697999999997 ] [ 0.5264351999999999 -1.1845266999999997 -2.1530701999999997 ] [ -0.19201809999999997 0.4751736999999999 2.0619441999999997 ] [ -0.6893312999999999 0.34761929999999996 -0.30065179999999997 ] [ -0.5242691999999999 -2.1504819999999993 -1.7415029999999998 ] [ 1.6686927999999999 2.0568507999999994 1.2732321999999998 ] [ 0.009697099999999998 -0.8262229999999999 0.4718531999999999 ] [ -0.6111358999999998 1.9115443999999997 -0.6880743999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.013223183798284e-10 -1.009301416203333e-09 1.724374311233091e-09 ] [ 8.43442169806172e-10 -1.897820985453375e-09 -3.44959873738118e-09 ] [ -3.076469105904364e-10 7.613121929590328e-10 3.303598790634159e-09 ] [ -1.104430492845671e-09 5.569475153988613e-10 -4.816972849614374e-10 ] [ -8.399718552455192e-10 -3.445451983851225e-09 -2.790195391653062e-09 ] [ 2.67354059145729e-09 3.295438264233776e-09 2.039942863689749e-09 ] [ 1.553646690955968e-11 -1.323755174167238e-09 7.559921654896664e-10 ] [ -9.791476511115665e-10 3.062631747301163e-09 -1.102416717050987e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.961447 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.76165896335383e-18 } }