{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46856e-10 0.0 0.0 ] "source-value" [ 5.46856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] "source-value" [ 0.109414 5.47364 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] "source-value" [ 0.0853482 0.188746 5.50226 ] } "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" [ [ -1.601892554885132e-09 -1.427367936234375e-09 -6.953911165492032e-10 ] [ -7.553189308736064e-11 -1.330245591658099e-10 2.410565889843324e-09 ] [ 1.565268239292603e-09 -9.098837934000998e-10 -3.354603762922004e-10 ] [ -1.218618261480736e-09 1.728589958357741e-10 -9.107581011820703e-10 ] [ -3.69936653689223e-10 -3.701651240753491e-10 -2.085109824806722e-09 ] [ 4.698059300818598e-10 9.808595768308916e-10 1.094255549779957e-09 ] [ -1.587692944147968e-11 -1.457232989099073e-09 -1.528381326951925e-09 ] [ 1.24678228342713e-09 3.14395582930804e-09 2.050279306158841e-09 ] ] "source-value" [ [ -0.9998227 -0.890893 -0.434029 ] [ -0.0471433 -0.0830274 1.5045569 ] [ 0.9769636 -0.5679048 -0.2093779 ] [ -0.7606017 0.1078901 -0.5684505 ] [ -0.2308963 -0.2310389 -1.3014232 ] [ 0.2932298 0.6122044 0.6829806 ] [ -0.0099096 -0.9095333 -0.9539406 ] [ 0.7781803 1.9623029 1.2796837 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.11745837131388e-18 "source-value" -25.699154 } }