{ "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" [ [ -0.6488971999999998 2.2189791999999997 -1.3868469999999993 ] [ 0.5307992999999999 2.2952092999999993 -0.20325939999999992 ] [ 0.20897159999999998 -0.6590661999999999 -1.2130581999999996 ] [ -0.22263909999999998 -1.5009867999999997 -0.27545979999999987 ] [ -4.434709999999999 6.814050099999999 5.658701799999998 ] [ 0.17307059999999996 -1.4397190999999998 1.5181366999999992 ] [ -0.21821009999999996 -1.0673492999999998 0.6967455999999996 ] [ 4.611614899999999 -6.661117199999999 -4.794959799999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.039647923142582e-09 3.555196596281487e-09 -2.221973840026617e-09 ] [ 8.504342287970052e-10 3.677330680302733e-09 -3.256574586378354e-10 ] [ 3.348094119311692e-10 -1.055940457199497e-09 -1.94353348770973e-09 ] [ -3.567071608959532e-10 -2.404845959089405e-09 -4.413352515302436e-10 ] [ -7.105188682027966e-09 1.09173117631799e-08 9.066239728038875e-09 ] [ 2.772896690678284e-10 -2.306684282539217e-09 2.432323127918462e-09 ] [ -3.4961112064243e-10 -1.710082094687245e-09 1.116309510965268e-09 ] [ 7.388621576912929e-09 -1.067228624624876e-08 -7.682372489235841e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.54808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.535212606952807e-18 } }