{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.3367742000000007 0.09938350000000003 1.2804058000000003 ] [ -1.0438211000000002 -0.7425267000000001 -0.35216860000000005 ] [ 0.9801256000000003 0.9133130000000003 -0.8061563000000003 ] [ -2.9389614000000006 -0.6844872000000001 0.8227951000000002 ] [ 2.7056579000000003 1.0471012000000002 -1.1326927000000002 ] [ -1.5808351000000005 0.4818771000000001 -1.4843286000000002 ] [ -0.19397650000000005 -1.1753356000000001 -0.3981779000000001 ] [ -1.2649636000000002 0.060674700000000005 2.0703232000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.346101656174044e-09 1.59229921505139e-10 2.051436254798077e-09 ] [ -1.672385776496178e-09 -1.189658928861128e-09 -5.642363021484924e-10 ] [ 1.570334334705231e-09 1.463288748128442e-09 -1.291604787211894e-09 ] [ -4.708735283307929e-09 -1.096669398112085e-09 1.318263083789694e-09 ] [ 4.334941866977509e-09 1.677641076073361e-09 -1.814773777442372e-09 ] [ -2.532777059427054e-09 7.720522300796814e-10 -2.378156600097933e-09 ] [ -3.107846158451011e-10 -1.883095235428371e-09 -6.379513275551887e-10 ] [ -2.026695122780522e-09 9.72115866149598e-11 3.317023455868109e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.749223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.727656977425538e-18 } }