{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46402e-10 0.0 0.0 ] "source-value" [ 5.46402 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] "source-value" [ 0.0122514 5.46447 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] "source-value" [ -0.0384841 0.0769758 5.42124 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.087287783367596e-09 2.974138085133869e-10 -9.525773142498816e-10 ] [ 2.271417651415154e-09 3.66944973372268e-09 1.417993761043736e-09 ] [ 2.539220832711226e-09 -1.486065278914003e-09 6.083198667858548e-10 ] [ -1.073134375823274e-09 2.899595215674528e-10 -4.692031271500501e-09 ] [ -2.241140678941248e-10 -9.085140926069779e-10 -1.150426420146246e-09 ] [ 2.894021243210764e-09 -6.667563751116172e-10 -2.222511850935882e-09 ] [ -7.579905603887904e-10 -1.746611240988499e-09 5.180848308929449e-09 ] [ -1.562133100081021e-09 5.511237635999155e-10 1.810384759855809e-09 ] ] "source-value" [ [ -2.5510844 0.1856311 -0.594552 ] [ 1.4177074 2.2902904 0.8850421 ] [ 1.584857 -0.927529 0.3796834 ] [ -0.6697978 0.1809785 -2.9285356 ] [ -0.139881 -0.5670499 -0.7180397 ] [ 1.806306 -0.4161566 -1.3871828 ] [ -0.4731005 -1.090149 3.2336312 ] [ -0.9750068 0.3439844 1.1299533 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.744855975825529e-18 "source-value" -35.856571 } }