{ "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" [ [ -2.423974 0.3465665 -0.7601900999999998 ] [ -0.8772951 0.8510471 -2.0623205999999996 ] [ -1.4885393 -0.1660597 -0.6899998999999999 ] [ 1.6949934 0.5559898 1.0429612999999998 ] [ -0.9244105 -2.5907528 0.5828812999999999 ] [ 1.4048391 1.4191329 2.9795448999999996 ] [ -1.0072302 -2.94001 -4.019688999999999 ] [ 3.6216165 2.5240862 2.9268120999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.883634472227059e-09 5.552607438524832e-10 -1.217958805583614e-09 ] [ -1.405581698762398e-09 1.36352776681964e-09 -3.304201849914228e-09 ] [ -2.384902865601997e-09 -2.660569689970618e-10 -1.105501708134338e-09 ] [ 2.715678797890303e-09 8.907938589632678e-10 1.671008211259175e-09 ] [ -1.481068891122038e-09 -4.150843566432139e-09 9.338787915615109e-10 ] [ 2.250800362005713e-09 2.273701554188105e-09 4.773757179403873e-09 ] [ -1.613760678203708e-09 -4.710415286918208e-09 -6.440251738686929e-09 ] [ 5.802469285803523e-09 4.044031898523913e-09 4.689269920094551e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.47084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.683055056813748e-18 } }