{ "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" [ [ -1.9021535 0.238061 -0.2717255 ] [ 1.0027906 1.6779711 0.737087 ] [ 1.1534791 -0.7070641 0.1319808 ] [ -0.4505739 0.0346212 -2.1556642 ] [ -0.1572757 -0.3444935 -0.6060941 ] [ 1.2953668 -0.1649849 -1.2052189 ] [ -0.3062816 -0.8826367 2.337285 ] [ -0.6353518 0.1485258 1.03235 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.047585891981319e-09 3.81415771666674e-10 -4.35352246961967e-10 ] [ 1.60664766811484e-09 2.688406088947277e-09 1.180943568625158e-09 ] [ 1.848077261827349e-09 -1.132841579760239e-09 2.114565538966272e-10 ] [ -7.218989744702526e-10 5.546927768104079e-11 -3.453754811990303e-09 ] [ -2.519834516359937e-10 -5.51939436264879e-10 -9.710698050252593e-10 ] [ 2.075406419419351e-09 -2.643349517428266e-10 -1.930973560435182e-09 ] [ -4.907172229441344e-10 -1.414139897050868e-09 3.74474341399869e-09 ] [ -1.017945808329841e-09 2.379645663061572e-10 1.6540070481099e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.157584 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.793083622669225e-18 } }