{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46402e-10 0.0 0.0 ] "source-value" [ 5.46402 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] "source-value" [ 0.0122514 5.46447 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] "source-value" [ -0.0384841 0.0769758 5.42124 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -5.233956618685079e-09 3.913220265706752e-10 -5.695002487875053e-10 ] [ 2.706736889951956e-09 4.446128242434144e-09 9.838950606566592e-10 ] [ 3.681872049934391e-09 -2.175183873992774e-09 2.19920851242167e-10 ] [ -5.624394564196397e-10 2.138921810534208e-10 -5.39795413584887e-09 ] [ -5.414762570777683e-10 -9.768778474928794e-10 -1.642142275735208e-09 ] [ 3.486962457484209e-09 5.530192987599841e-10 -3.618587996024736e-09 ] [ -2.002990422325281e-09 -2.890976787195921e-09 6.75569019440198e-09 ] [ -1.534708642862788e-09 4.386764394280263e-10 3.268678389877851e-09 ] ] "source-value" [ [ -3.2667788 0.244244 -0.3554541 ] [ 1.6894123 2.775055 0.614099 ] [ 2.2980438 -1.357643 0.1372638 ] [ -0.3510471 0.133501 -3.369138 ] [ -0.3379629 -0.6097192 -1.0249446 ] [ 2.1763908 0.3451675 -2.258545 ] [ -1.2501683 -1.8044058 4.2165702 ] [ -0.9578898 0.2738003 2.0401486 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.681828270175201e-18 "source-value" -35.463183 } }