{ "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" [ [ 3.4134237 6.4651156 -0.8667124 ] [ -6.2213661 2.0296519 -1.7185288 ] [ 48.2336867 58.1323057 -58.7498849 ] [ -7.0089017 -4.5050101 -3.6973442 ] [ 0.9739168 6.926309 4.1998141 ] [ -49.8853325 -53.7281588 61.643761 ] [ 4.0134196 -7.3344578 -1.7390099 ] [ 6.4811535 -7.9857555 0.9279052 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.468907694081825e-09 1.035825715042889e-08 -1.388626355678061e-09 ] [ -9.967727396979707e-09 3.251860849333704e-09 -2.753386688216059e-09 ] [ 7.727888580241655e-08 9.313822187308501e-08 -9.412769283696942e-08 ] [ -1.122949853374288e-08 -7.217821918154002e-09 -5.923798485095421e-09 ] [ 1.560386740420051e-09 1.109717043966391e-08 6.728844018163739e-09 ] [ -7.992511411082079e-08 -8.608200061720148e-08 9.876419350608046e-08 ] [ 6.430207105557625e-09 -1.175109691021904e-08 -2.786201028074676e-09 ] [ 1.038395269906732e-08 -1.279459086693699e-08 1.486668030007096e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.21016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.878895265740144e-18 } }