{ "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" [ [ 1.2721044 1.0639499 -0.1657022 ] [ -1.2551262 0.2215073 -0.6963928 ] [ 3.8098601 3.6636908 -2.8176261 ] [ -1.2532647 -1.1402428 -0.1685245 ] [ -0.3767191 0.5171216 -0.2454861 ] [ -3.3128052 -2.7432202 4.1545911 ] [ 0.2061026 -0.7736969 0.2187064 ] [ 0.9098481 -0.8091096 -0.2795656 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.038135945688589e-09 1.704635669526636e-09 -2.654841930423947e-10 ] [ -2.010933870361211e-09 3.548938203204282e-10 -1.115744272245835e-09 ] [ 6.104068831028903e-09 5.869879793960766e-09 -4.514334700768547e-09 ] [ -2.007951418557019e-09 -1.826870371246735e-09 -2.700060161565329e-10 ] [ -6.035705396015093e-10 8.285201444566942e-10 -3.933120933917874e-10 ] [ -5.307699084433697e-09 -4.395123306356806e-09 6.656388784244357e-09 ] [ 3.302127699266483e-10 -1.239599094978235e-09 3.504062837862575e-10 ] [ 1.457737366309295e-09 -1.296336495465086e-09 -4.479134719901904e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.515043 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.690137205010526e-18 } }