{ "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" [ [ -3.013223208623603e-10 -1.009301424518757e-09 1.724374325439853e-09 ] [ 8.434421767551166e-10 -1.897821001089127e-09 -3.449598765801706e-09 ] [ -3.076469131250753e-10 7.613121992313257e-10 3.303598817851822e-09 ] [ -1.104430501944844e-09 5.569475199874361e-10 -4.816972889300411e-10 ] [ -8.399718621658725e-10 -3.445452012237587e-09 -2.790195414640901e-09 ] [ 2.673540613484035e-09 3.295438291384206e-09 2.039942880496415e-09 ] [ 1.55364670375614e-11 -1.323755185073382e-09 7.559921717181286e-10 ] [ -9.791476591785602e-10 3.062631772533549e-09 -1.102416726133569e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.961447 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.76165901082294e-18 } }