{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6135276000000001 0.6034932000000001 2.2541440000000006 ] [ -1.9193245000000005 -0.9046269000000002 0.4974934000000001 ] [ -0.16601100000000002 -0.4250218000000001 -0.7791613000000002 ] [ 1.4482741000000001 0.30339610000000006 -0.10514560000000003 ] [ -2.1401306000000004 -0.6493175000000001 -0.013419300000000004 ] [ 1.9211480000000005 -0.5131928000000001 0.32388430000000007 ] [ -0.5881029000000001 0.6121301000000001 -1.7191080000000005 ] [ 2.0576746000000004 0.9731396000000002 -0.45868740000000013 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.82979576935534e-10 9.669026958517786e-10 3.611536816716596e-09 ] [ -3.07509684162865e-09 -1.44937206972678e-09 7.970722944823028e-10 ] [ -2.659789429956288e-10 -6.809599912903337e-10 -1.248354018692135e-09 ] [ 2.320390903530161e-09 4.86094138261899e-10 -1.684618220999885e-10 ] [ -3.428867212778677e-09 -1.040321317976304e-09 -2.150008872750144e-11 ] [ 3.078018410696679e-09 -8.222255061228904e-10 5.189198533041735e-10 ] [ -9.422447170046805e-10 9.807405351079664e-10 -2.754314646230247e-09 ] [ 3.296758137333992e-09 1.559141515894664e-09 -7.348982285355382e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.139818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.790237147956701e-18 } }