{ "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" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3070461 0.0649992 -1.011109 ] [ 2.5277545 4.1108302 1.4193711 ] [ 2.11985 -1.5356526 0.7448944 ] [ -1.0037798 0.503628 -5.1526025 ] [ -0.3249787 -1.300696 -1.0439515 ] [ 3.2946319 -0.7369785 -2.2644474 ] [ -1.0197233 -1.9995902 5.8579239 ] [ -1.2867086 0.89346 1.4499209 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.900648566127819e-09 1.041401986107033e-10 -1.619975200880467e-09 ] [ 4.049909163021993e-09 6.586276038518588e-09 2.274083192659179e-09 ] [ 3.39637410960288e-09 -2.460386693390734e-09 1.193452392644844e-09 ] [ -1.6082325279913e-09 8.069010071802624e-10 -8.255379261775633e-09 ] [ -5.20673275397977e-10 -2.083944721968077e-09 -1.672594686549091e-09 ] [ 5.278582204321884e-09 -1.180769722732253e-09 -3.628044683311346e-09 ] [ -1.633776830945025e-09 -3.203696669620796e-09 9.385428719005557e-09 ] [ -2.061534436702299e-09 1.431480723619968e-09 2.323029367989295e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.241412 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.646296639038056e-18 } }