{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40534e-10 0.0 0.0 ] "source-value" [ 5.40534 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] "source-value" [ 0.0241155 5.39517 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] "source-value" [ -0.0520891 0.00914509 5.32386 ] } "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" [ [ 2.953562131881245e-09 3.778216057108282e-10 3.717038705237317e-09 ] [ -6.179279597631302e-10 -1.311245859765018e-09 -5.538287183888121e-10 ] [ 3.211966945119704e-09 2.924563375915413e-09 1.28283125739513e-09 ] [ -3.295803880938643e-09 8.796867695395718e-10 -6.643564266860224e-09 ] [ 2.792813348251449e-10 -2.149972022687866e-10 -6.555268793940921e-10 ] [ -4.423625511577346e-09 1.79740953249226e-09 -8.442443796402068e-10 ] [ 5.812640223427686e-09 -3.798212983730149e-09 2.945439416849113e-09 ] [ -3.920093122756998e-09 -6.550252378941196e-10 7.518550250194369e-10 ] ] "source-value" [ [ 1.8434685 0.2358177 2.3199931 ] [ -0.3856803 -0.8184153 -0.3456727 ] [ 2.0047521 1.8253689 0.8006803 ] [ -2.057079 0.5490573 -4.1465867 ] [ 0.1743137 -0.1341907 -0.4091477 ] [ -2.7610099 1.1218548 -0.5269359 ] [ 3.6279647 -2.3706581 1.8383987 ] [ -2.4467297 -0.4088346 0.469271 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.752497076565447e-18 "source-value" -35.904263 } }