{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4511676 -0.1134291 -0.4942078 ] [ 0.202049 -0.2987244 0.072328 ] [ -0.0565621 -0.7742 0.1996251 ] [ 0.083058 0.1972649 0.5913741 ] [ -0.2019132 0.5220485 0.0592242 ] [ -0.2807491 0.3646121 0.1312927 ] [ 0.0583131 0.1634499 -0.4410531 ] [ -0.2553632 -0.0610219 -0.1185832 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.228501807824462e-10 -1.817334521383853e-10 -7.918081829770022e-10 ] [ 3.237181840560192e-10 -4.786092497425076e-10 1.158822306292224e-10 ] [ -9.062247424335168e-11 -1.24040513982336e-09 3.198346681448621e-10 ] [ 1.330735857704064e-10 3.160532108844499e-10 9.474857571666412e-10 ] [ -3.235006084709146e-10 8.364139016237088e-10 9.488762862558335e-11 ] [ -4.498096443306413e-10 5.841729822807917e-10 2.103540944217082e-10 ] [ 9.342788550637247e-11 2.618756084520979e-10 -7.066449653513644e-10 ] [ -4.091369488526746e-10 -9.776786153679553e-11 -1.899912306596506e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 149.70326 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.398510632295438e-17 } }