{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9473803 4.3190999 4.274942399999999 ] [ -5.1659948 5.3486286 -10.798525699999999 ] [ -5.9441886 1.9437702 -2.2041534999999994 ] [ 9.0682196 -0.8795327 -1.9274153999999994 ] [ 0.0293137 -15.7931533 2.0413028999999994 ] [ 4.9747272 5.9056038 9.533558399999999 ] [ -21.3980742 -20.6068055 -20.779250399999995 ] [ 24.3833774 19.7623891 19.859541299999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.528753750171909e-09 6.919960939691736e-09 6.849212824975879e-09 ] [ -8.276836159925502e-09 8.569447766864132e-09 -1.730114555818849e-08 ] [ -9.523640083009172e-09 3.114263196305506e-09 -3.531443235449317e-09 ] [ 1.452888955510083e-08 -1.409166740778932e-09 -3.088059917891762e-09 ] [ 4.69657251960858e-11 -2.530342119443999e-08 3.270527809296437e-09 ] [ 7.970391680364245e-09 9.461820418021608e-09 1.527444450735442e-08 ] [ -3.428349449583824e-08 -3.301574227348269e-08 -3.329202946291514e-08 ] [ 3.906647752828367e-08 3.166283804803628e-08 3.181849303281798e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -31.19487 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.997969181466758e-18 } }