{ "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" [ [ -2.8106258 1.7623237 -1.2641606999999997 ] [ -0.860064 0.4887761 -1.7881346999999996 ] [ -0.9536943 0.2752443 -0.30369289999999993 ] [ 1.1648563 0.0342634 0.24099209999999993 ] [ -0.3003263 -1.936984 0.6618125999999999 ] [ -0.2789342 2.3687142 6.111795999999998 ] [ 1.2787531 -4.8992026 -5.788493999999999 ] [ 2.7600352 1.9068651 2.1298816999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.503118983677557e-09 2.823553853684426e-09 -2.025408735161083e-09 ] [ -1.377974444544576e-09 7.831056466776473e-10 -2.864907634784599e-09 ] [ -1.527986723438986e-09 4.409899861016862e-10 -4.865696682916984e-10 ] [ 1.866305545827694e-09 5.489601888139559e-11 3.861119115985913e-10 ] [ -4.811757804356742e-10 -3.103390505231856e-09 1.060340683806788e-09 ] [ -4.469018576634828e-10 3.795098543864002e-09 9.792176742974661e-09 ] [ 2.048788337475065e-09 -7.849387930952047e-09 -9.274189832849194e-09 ] [ 4.422063906457516e-09 3.055134707410073e-09 3.412446692924196e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.802863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.736251052890314e-18 } }