{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9037904 1.5970633 0.0182569 ] [ -1.7953789 0.3134466 -0.9381657 ] [ 5.0654283 4.4822372 -3.0543826 ] [ -1.9200119 -1.7005582 -0.5194385 ] [ -0.5203167 0.6083552 -0.1815067 ] [ -4.4332997 -2.808987 4.770135 ] [ 0.3971911 -1.1966352 0.0732062 ] [ 1.3025975 -1.2949219 -0.1681047 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.05020846978348e-09 2.558777481197697e-09 2.925077834828352e-11 ] [ -2.876514099057621e-09 5.021968143892493e-10 -1.503107150976467e-09 ] [ 8.115710796598688e-09 7.181335650720054e-09 -4.893660392698319e-09 ] [ -3.076198177837787e-09 -2.724594590349731e-09 -8.322322206434208e-10 ] [ -8.336392521518074e-10 9.746924785821082e-10 -2.908057912585593e-10 ] [ -7.102929132339654e-09 -4.500493299531131e-09 7.642598775059809e-09 ] [ 6.363702944098349e-10 -1.917220941066332e-09 1.17289262137609e-10 ] [ 2.086991260812528e-09 -2.074693593941916e-09 -2.693334201865978e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.292467 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.654476551775552e-18 } }