{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.31945e-10 0.0 0.0 ] "source-value" [ 5.31945 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] "source-value" [ -0.00383334 5.41695 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] "source-value" [ 0.0189848 -0.118491 5.47074 ] } "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" [ [ -1.468445341526755e-09 -5.892334090722899e-09 -7.309466040962306e-09 ] [ 3.320579940202695e-09 4.679679451060105e-09 3.489631203081475e-09 ] [ 5.40746465626994e-09 4.118465339320054e-09 -1.413560185855125e-08 ] [ 4.104630383981783e-09 4.3077999980005e-09 1.260722774139413e-08 ] [ -5.92403187342413e-09 3.149267525458978e-09 -3.93432573833255e-10 ] [ -5.272630919263922e-09 -1.287729335629643e-08 9.644493308576462e-09 ] [ -5.175930107356579e-09 5.56154486036864e-09 5.208526550924417e-09 ] [ 5.008363100899307e-09 -3.047129566971289e-09 -9.111378170411999e-09 ] ] "source-value" [ [ -0.9165315 -3.6777057 -4.5622099 ] [ 2.072543 2.9208262 2.1780565 ] [ 3.375074 2.5705439 -8.8227488 ] [ 2.5619088 2.6887173 7.8688127 ] [ -3.6974899 1.9656182 -0.2455613 ] [ -3.2909174 -8.0373744 6.0196193 ] [ -3.2305615 3.4712433 3.2509066 ] [ 3.1259744 -1.9018687 -5.686875 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.612910062467005e-18 "source-value" -16.308502 } }