{ "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" [ [ 1.7707161 1.2297542 -3.4272616 ] [ -1.0544634 0.5043832 0.7131104 ] [ -0.4922039 -0.8282735 -2.0659376 ] [ -1.9887651 -1.0958927 4.7031618 ] [ 4.786818 1.96138 -2.5669437 ] [ -0.3157662 -2.4827111 -0.2800401 ] [ -0.3687962 1.3377186 -0.0933027 ] [ -2.3375394 -0.6263587 3.0172136 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.836999937494155e-09 1.970283428570607e-09 -5.491078408885602e-09 ] [ -1.689436606969279e-09 8.081109709642907e-10 1.142528810929336e-09 ] [ -7.885975812465812e-10 -1.327040437328189e-09 -3.309996922751662e-09 ] [ -3.186352947482974e-09 -1.755813662845388e-09 7.535295879799647e-09 ] [ 7.669327887624615e-09 3.142477180504704e-09 -4.112697183049849e-09 ] [ -5.059132232788569e-10 -3.977741680620651e-09 -4.486737011064941e-10 ] [ -5.90876649479881e-10 2.143261466129307e-09 -1.494874045975162e-10 ] [ -3.745150976878859e-09 -1.003537265374681e-09 4.834109089879803e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.61618 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.706341091820454e-18 } }