{ "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" [ [ -1.7438659 0.1991722 -0.33996 ] [ 0.947635 1.7401975 0.3944155 ] [ 1.2223398 -0.7122985 0.1666818 ] [ -0.3817308 0.0121796 -1.9132308 ] [ -0.0579629 -0.4491294 -0.616841 ] [ 1.2898528 -0.0352293 -1.0074097 ] [ -0.6556731 -1.0191407 2.3070028 ] [ -0.6205949 0.2642486 1.0093413 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.793981174790351e-09 3.191090423533018e-10 -5.44675964007168e-10 ] [ 1.518278642051808e-09 2.788103750074608e-09 6.319232929811424e-10 ] [ 1.958404250233348e-09 -1.141228003730909e-09 2.670536830728614e-10 ] [ -6.116001631992806e-10 1.951387037069568e-11 -3.065333657954481e-09 ] [ -9.286680325376833e-11 -7.195846243939316e-10 -9.882882289508927e-10 ] [ 2.066572000433418e-09 -5.644356082714944e-11 -1.614048268907142e-09 ] [ -1.05050411170746e-09 -1.632843402845746e-09 3.696225950280138e-09 ] [ -9.94302639767714e-10 4.233729289991309e-10 1.617143033267879e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.062868 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.695078791819646e-18 } }