{ "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" [ 5.4484 0 0 ] "si-unit" "m" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00476084 5.4399 0 ] "si-unit" "m" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0697031 -0.0639637 5.39979 ] "si-unit" "m" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00902537 -0.0303023 -0.0491559 ] [ 1.28054 1.44048 1.35481 ] [ -0.0535965 2.57981 2.82719 ] [ 1.28029 4.0563 4.12138 ] [ 2.62772 -0.0777145 2.68834 ] [ 4.08246 1.48548 4.03991 ] [ 2.84369 2.84518 0.0189163 ] [ 4.03071 4.03913 1.36727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.02537e-13 -3.03023e-12 -4.91559e-12 ] [ 1.28054e-10 1.44048e-10 1.35481e-10 ] [ -5.35965e-12 2.57981e-10 2.82719e-10 ] [ 1.28029e-10 4.0563e-10 4.12138e-10 ] [ 2.62772e-10 -7.771450000000001e-12 2.68834e-10 ] [ 4.08246e-10 1.48548e-10 4.03991e-10 ] [ 2.84369e-10 2.84518e-10 1.89163e-12 ] [ 4.03071e-10 4.03913e-10 1.36727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8042635 3.5877472 3.2091416 ] [ 2.7267445 -1.8444122 -1.9993531 ] [ 6.9057107 12.0983847 -8.3253821 ] [ 2.4545227 -3.476043 -2.9693753 ] [ 0.4434305 2.8867364 1.1700335 ] [ -8.7892032 -11.7433064 7.3046182 ] [ -7.566549 -5.3609125 -3.9574876 ] [ 7.6296072 3.8518057 5.5678048 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.095102089279058e-09 5.748204732538924e-09 5.141611686717375e-09 ] [ 4.368726324788014e-09 -2.955074130304535e-09 -3.203316819935465e-09 ] [ 1.106416832470378e-08 1.93837492754831e-08 -1.333873266974185e-08 ] [ 3.932578917562591e-09 -5.569234873379261e-09 -4.75746372323674e-09 ] [ 7.104539859029369e-10 4.625061608597278e-09 1.874600334697239e-09 ] [ -1.408185599851803e-08 -1.881485111998265e-08 1.170328860033114e-08 ] [ -1.212294800781606e-08 -8.589128744418525e-09 -6.340594162064738e-09 ] [ 1.222397838243816e-08 6.171273091248014e-09 8.920606753233043e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.523143 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.370999641284066e-18 } }