{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1369755 -0.252246 -4.6551289 ] [ -0.7415748 0.4700423 0.4252259 ] [ -0.6277063 -0.8129941 -1.622526 ] [ -3.3983662 0.2031389 6.0189571 ] [ 8.4081478 -0.3890541 -5.184521 ] [ -0.9086506 -2.7626929 -1.0930581 ] [ -0.4104097 1.1309827 0.1900564 ] [ -5.4584157 2.4128232 5.9209945 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.025988847530467e-09 -4.04142647219964e-10 -7.458338751838122e-09 ] [ -1.188133816923223e-09 7.530907900516182e-10 6.812870011516206e-10 ] [ -1.005696366874594e-09 -1.30256015059986e-09 -2.599573245257484e-09 ] [ -5.44478291941537e-09 3.254643990364626e-10 9.643432426668398e-09 ] [ 1.34713379403785e-08 -6.233333883818993e-10 -8.306518404682314e-09 ] [ -1.45581875979008e-09 -4.426322011297698e-09 -1.751272147424435e-09 ] [ -6.575488317069497e-10 1.812034055398231e-09 3.045039232221576e-10 ] [ -8.745346093198752e-09 3.865768953013108e-09 9.486479037942512e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.457497 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.680917319352508e-18 } }