{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2169108000000004 -1.3008793000000003 0.5074698000000001 ] [ -0.6189996000000001 -0.11238460000000003 -0.4955216000000001 ] [ 0.6371085000000001 -1.6353678000000005 1.2273431000000001 ] [ -0.5396671000000001 2.0106969000000006 0.8975866000000002 ] [ 0.6245723000000001 -0.5659626000000001 0.6943469000000001 ] [ -1.0247899000000003 0.9826955000000003 -0.9829659000000002 ] [ 0.42280040000000013 -0.9663386000000003 -1.5464335000000005 ] [ -1.7179355000000005 1.5875405000000005 -0.3018253000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.551882654159025e-09 -2.08423840094267e-09 8.130562493220519e-10 ] [ -9.917466874045518e-10 -1.800599786579597e-10 -7.939131226214094e-10 ] [ 1.020760343612957e-09 -2.620148055569131e-09 1.966420420520197e-09 ] [ -8.646420106349358e-10 3.221491564695036e-09 1.438092265663362e-09 ] [ 1.000675137059284e-09 -9.067720459671822e-10 1.112466369904956e-09 ] [ -1.64189441901197e-09 1.574451755465367e-09 -1.574884984023631e-09 ] [ 6.774009161448886e-10 -1.548245112696603e-09 -2.477659599321918e-09 ] [ -2.752436094142359e-09 2.543520273673143e-09 -4.835774392259464e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.747695 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.484364848528906e-18 } }