{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6153083000000001 0.6316926000000002 2.2028105000000004 ] [ -1.9340390000000005 -0.9037738000000002 0.6084871000000001 ] [ -0.08878460000000002 -0.46641500000000014 -0.7741670000000003 ] [ 1.4879434000000002 0.17105830000000002 -0.20066160000000005 ] [ -2.0596358000000006 -0.6984866000000001 -0.015754100000000004 ] [ 1.7532779000000005 -0.25455220000000006 0.26846090000000006 ] [ -0.5237125000000001 0.6438459000000001 -1.7132410000000005 ] [ 1.9802588000000005 0.8766308000000003 -0.3759348000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.858325728441929e-10 1.012083115252366e-09 3.529291483152759e-09 ] [ -3.098672069515412e-09 -1.448005252851575e-09 9.749038056783918e-10 ] [ -1.422486104070797e-10 -7.472792085904323e-10 -1.240352267994874e-09 ] [ 2.383948128553663e-09 2.740656090537926e-10 -3.214953242123214e-10 ] [ -3.299900326122706e-09 -1.119098900462081e-09 -2.524085070174528e-11 ] [ 2.809060861145321e-09 -4.078375836132059e-10 4.301217775789269e-10 ] [ -8.390799235207203e-10 1.031554848377935e-09 -2.744914675996014e-09 ] [ 3.172724352493464e-09 1.404517372833201e-09 -6.023139475051241e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.201777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.800164074081516e-18 } }