{ "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" [ [ 2.49629980278129e-09 2.596533894790484e-10 3.270273036268532e-09 ] [ -3.55478932298448e-10 -1.003798099728547e-09 -3.746283074879117e-10 ] [ 2.441549582424664e-09 2.636589912487104e-09 9.905375247088339e-10 ] [ -2.876841904394237e-09 1.363663471179421e-09 -5.841297074902638e-09 ] [ -6.36096161990016e-11 -9.04725105116448e-11 -6.532936054023591e-10 ] [ -3.732950722346792e-09 1.426669547445368e-09 -8.994792584246246e-10 ] [ 5.371196344322551e-09 -3.912113802532427e-09 2.770005402748389e-09 ] [ -3.280164554290028e-09 -6.801919078183218e-10 7.378821222741159e-10 ] ] "source-value" [ [ 1.5580678 0.1620629 2.0411439 ] [ -0.2218725 -0.6265215 -0.2338246 ] [ 1.5238954 1.64563 0.6182449 ] [ -1.7955835 0.8511318 -3.6458509 ] [ -0.039702 -0.0564685 -0.4077538 ] [ -2.3299246 0.8904571 -0.5614108 ] [ 3.3524371 -2.4417494 1.7289014 ] [ -2.0473177 -0.4245424 0.4605498 ] ] } "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" -5.75878818328468e-18 "source-value" -35.943529 } }