{ "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" [ [ -1.8842337 0.3344519 -0.37259429999999993 ] [ -0.8710218 0.7831951 -1.7860670999999995 ] [ -1.3531417 -0.0169012 -0.4740336999999999 ] [ 1.4383245 0.3736839 0.6879035999999998 ] [ -0.5241062 -2.4314868 0.5108398999999999 ] [ 1.2792606 1.2034836 2.4351369999999997 ] [ -1.5964163 -2.7011678 -3.485412899999999 ] [ 3.5113347 2.4547413 2.4842273999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.018875207135365e-09 5.358510193769046e-10 -5.96961881421586e-10 ] [ -1.395530775664621e-09 1.254816889083293e-09 -2.861594974376141e-09 ] [ -2.167972014231037e-09 -2.70787077265608e-11 -7.594857178685656e-10 ] [ 2.304449906009733e-09 5.987076130819926e-10 1.102143074364482e-09 ] [ -8.397107073745306e-10 -3.895671336839431e-09 8.184557514948963e-10 ] [ 2.04960144211682e-09 1.928193303322202e-09 3.901519601988857e-09 ] [ -2.557740893996734e-09 -4.327747933673184e-09 -5.584247108222177e-09 ] [ 5.6257784104934e-09 3.932929153374784e-09 3.98017109382257e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.729085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.724430514119988e-18 } }