{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7427578999999999 2.2817837999999995 -1.4916497999999994 ] [ 0.49515479999999995 2.9092752999999996 -0.39602489999999985 ] [ 0.45875779999999994 -1.2116821999999998 -1.3577044999999994 ] [ -0.45174759999999997 -1.1189763999999998 -0.16548709999999991 ] [ -2.0369037999999997 4.259178999999999 2.7444692999999987 ] [ 0.46222799999999997 -1.7814312999999997 1.845890999999999 ] [ -0.45235289999999995 -1.2732877999999999 0.7706365999999997 ] [ 2.2676214999999997 -4.064860399999999 -1.9501305999999992 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.190029352098908e-09 3.655820688199728e-09 -2.389886455670772e-09 ] [ 7.93325450772943e-10 4.661172907533339e-09 -6.345018412621863e-10 ] [ 7.350110278252449e-10 -1.941328908673714e-09 -2.175282425776652e-09 ] [ -7.237794491855783e-10 -1.792797842077437e-09 -2.651395648484212e-10 ] [ -3.263479674065808e-09 6.823957073823483e-09 4.397124585190333e-09 ] [ 7.405709011805518e-10 -2.854167603936243e-09 2.957443429110892e-09 ] [ -7.247492467021384e-10 -2.040031961517265e-09 1.234695953825204e-09 ] [ 3.63313018205603e-09 -6.512624353351892e-09 -3.124453680568399e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.069871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.618812787359421e-18 } }