{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8117053000000002 4.0978786000000005 1.4766072000000001 ] [ 10.348464200000002 -12.130177900000003 -11.781580100000001 ] [ -9.679740100000002 11.878257800000002 13.871761000000003 ] [ -0.5001061000000001 -4.4552133000000005 -0.8916428000000002 ] [ -1.3458989000000001 1.5889962000000004 3.255172400000001 ] [ -0.21444690000000005 -0.7721321000000002 1.6340763000000005 ] [ 0.4289247000000001 1.6077702000000005 -3.242841700000001 ] [ 0.15109780000000003 -1.8153795000000004 -4.321552200000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.30049525463945e-09 6.565525287796636e-09 2.36578553394495e-09 ] [ 1.658006740242578e-08 -1.943468743752484e-08 -1.887617219230253e-08 ] [ -1.550865328364026e-08 1.903106694299524e-08 2.222501116352524e-08 ] [ -8.012583013394671e-10 -7.138038589937217e-09 -1.42856924826465e-09 ] [ -2.156367751540437e-09 2.545852562180042e-09 5.215361115953427e-09 ] [ -3.435818095830356e-10 -1.237091998789208e-09 2.618078844463368e-09 ] [ 6.872131264236539e-10 2.575931826058941e-09 -5.195605156695329e-09 ] [ 2.420853626143143e-10 -2.908558592779594e-09 -6.923889900406808e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.70374 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.919281439912179e-18 } }