{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.52526e-10 0.0 0.0 ] "source-value" [ 5.52526 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] "source-value" [ 0.163004 5.51064 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] "source-value" [ 0.0929221 -0.0543858 5.47616 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.077701039676819e-09 6.02105984979744e-10 -1.33823885081927e-10 ] [ -9.634093099477862e-10 6.55634866098334e-10 -2.056266479973108e-09 ] [ -1.421207727345061e-09 2.323574268258029e-10 -5.978233668723457e-10 ] [ 1.695473928911777e-09 2.811848808683175e-10 4.665945272631283e-10 ] [ -6.292293932109292e-10 -2.606810736289281e-09 6.610721728963431e-10 ] [ 1.173120450891567e-09 1.255562531744438e-09 2.758027850766612e-09 ] [ -1.349396889459508e-09 -2.766860330041759e-09 -3.700428779991821e-09 ] [ 3.57235014005442e-09 2.34682521559674e-09 2.602647960993118e-09 ] ] "source-value" [ [ -1.296799 0.375805 -0.08352629999999998 ] [ -0.6013128 0.4092151 -1.2834205999999997 ] [ -0.8870481 0.1450261 -0.37313199999999996 ] [ 1.0582316 0.1755018 0.29122539999999997 ] [ -0.3927341 -1.6270433 0.4126087999999999 ] [ 0.7322042 0.7836605 1.7214255999999994 ] [ -0.8422273 -1.7269384 -2.3096259999999997 ] [ 2.2296856 1.4647731 1.6244450999999995 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.041480912908275e-18 "source-value" -25.22494 } }