{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] "source-value" [ 5.44141 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] "source-value" [ 0.0387259 5.36248 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] "source-value" [ -0.184794 -0.00314768 5.51994 ] } "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" [ [ 5.382787451303391e-09 4.189081434099475e-10 -1.31581606857585e-09 ] [ -6.953169357716602e-10 -1.343495752529777e-09 6.968753729707124e-10 ] [ 6.592671607153498e-10 6.378567938786131e-10 2.063797190743855e-09 ] [ -3.532779742091565e-09 -2.908990860031886e-09 3.544026861751918e-09 ] [ 1.632419947564869e-09 3.737974507358972e-09 -1.042146838018044e-09 ] [ -1.892052188312523e-09 6.754908011775706e-10 -2.131165673512915e-09 ] [ -5.400391046489107e-10 -6.372244147663834e-10 -3.437189078364774e-09 ] [ -1.014286588758952e-09 -5.805193787147194e-10 1.621618233005098e-09 ] ] "source-value" [ [ 3.3596717 0.2614619 -0.8212677999999999 ] [ -0.4339827 -0.8385441 0.43495539999999994 ] [ 0.4114822 0.3981189 1.2881208999999998 ] [ -2.2049877 -1.8156493 2.2120075999999997 ] [ 1.0188764 2.3330602 -0.6504568999999999 ] [ -1.1809261 0.4216082 -1.3301689999999997 ] [ -0.3370659 -0.3977242 -2.1453246999999998 ] [ -0.6330679 -0.3623317 1.0121344999999997 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.264712822354987e-18 "source-value" -26.618244 } }