{ "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" [ 5.44188 0 0 ] "si-unit" "m" "si-value" [ 5.44188e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0681259 5.43851 0 ] "si-unit" "m" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00252152 -0.017859 5.5414 ] "si-unit" "m" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0867775 -0.0710359 -0.2097488 ] [ 0.0332374 0.0199754 -0.2500748 ] [ 0.0274528 0.2584416 -0.2211607 ] [ -0.0682861 0.0216035 0.3717294 ] [ 0.0929141 -0.026351 -0.0456228 ] [ -0.1123222 -0.1478061 0.4348 ] [ -0.0115518 -0.0523106 -0.1112403 ] [ 0.1253334 -0.0025169 0.031318 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.39032881711472e-10 -1.138120582174867e-10 -3.360546236008551e-10 ] [ 5.325218521617793e-11 3.200411887112832e-11 -4.006639980112358e-10 ] [ 4.398423433549824e-11 4.140690893621453e-10 -3.543385029797625e-10 ] [ -1.094063929456109e-10 3.461262262745281e-11 5.955761539440116e-10 ] [ 1.488647987626733e-10 -4.22189561347008e-11 -7.309578353543423e-11 ] [ -1.799600028368217e-10 -2.368114778316269e-10 6.9662639472384e-10 ] [ -1.850802388815744e-11 -8.381082034002048e-11 -1.782266079507783e-10 ] [ 2.008062432853747e-10 -4.03251833689152e-12 5.01769674102144e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 29.650037 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.750459608725498e-18 } }