{ "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" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.349054 0.2811842 -0.5874506 ] [ 1.199826 2.0951086 0.6639346 ] [ 1.5359263 -0.7998169 0.2610822 ] [ -0.6399701 0.0990906 -2.4803344 ] [ -0.0266827 -0.5216136 -0.745527 ] [ 1.7259261 -0.2576785 -1.2282797 ] [ -0.5736479 -1.1739063 2.9363415 ] [ -0.8723238 0.2776319 1.1802333 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.763599430804236e-09 4.505067550899828e-10 -9.411996249492805e-10 ] [ 1.922333182065684e-09 3.356734044612452e-09 1.063740502624136e-09 ] [ 2.460825229406074e-09 -1.281447948658315e-09 4.182998003933147e-10 ] [ -1.025345140678643e-09 1.587606439690404e-10 -3.973933820186409e-09 ] [ -4.27503984720318e-11 -8.357171218966223e-10 -1.194465939416118e-09 ] [ 2.765238469430747e-09 -4.128464717841689e-10 -1.96792103535653e-09 ] [ -9.190852615231685e-10 -1.880805244365394e-09 4.704537740744511e-09 ] [ -1.397616809642089e-09 4.448153430330245e-10 1.890942215928712e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.980731 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.764748648243945e-18 } }