{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.632088 -1.6244788 0.5759527 ] [ 0.3139045 -0.4384036 -0.4180583 ] [ -0.659111 -0.2477317 1.7647622 ] [ -1.0206849 -1.9078891 1.0364217 ] [ 1.3914217 2.3835416 0.3989988 ] [ -0.7886548 1.0540127 0.0689741 ] [ 0.426609 -1.0674175 -1.4875747 ] [ 0.9686036 1.8483664 -1.9394764 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.01271661588823e-09 -2.602701954345239e-09 9.227779506266361e-10 ] [ 5.029304510639136e-10 -7.023999983945549e-10 -6.698032343913926e-10 ] [ -1.056012234712109e-09 -3.969099379710394e-10 2.827460738111574e-09 ] [ -1.635317483983586e-09 -3.056775311099153e-09 1.660530617029791e-09 ] [ 2.229303317413792e-09 3.818854626224225e-09 6.392665490872549e-10 ] [ -1.2635642824417e-09 1.688714505966284e-09 1.105086904607213e-10 ] [ 6.835029660228672e-10 -1.710191363132784e-09 -2.383357406033574e-09 ] [ 1.551874042742715e-09 2.961409432752261e-09 -3.107383744673349e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -216.54261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.469395071490123e-17 } }