{ "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" [ [ -1.3512314 0.402969 -0.12094679999999997 ] [ -0.6103112 0.3680762 -1.1997048999999997 ] [ -1.0603988 0.1976777 -0.31532759999999993 ] [ 1.0886512 0.2001285 0.23335929999999994 ] [ -0.2819803 -1.6620862 0.4425372999999999 ] [ 0.7821302 0.7931436 1.9165219999999996 ] [ -0.9144111 -1.7142971 -2.3374936999999996 ] [ 2.3475513 1.4143883 1.3810543999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.164911358370853e-09 6.456275107071552e-10 -1.937781353205734e-10 ] [ -9.77826336052393e-10 5.89723082312905e-10 -1.922139142639202e-09 ] [ -1.698946166084375e-09 3.167145893935161e-10 -5.05210508612974e-10 ] [ 1.744211500845865e-09 3.206412038557728e-10 3.738828147062534e-10 ] [ -4.517822441861703e-10 -2.662955651394313e-09 7.090229158919557e-10 ] [ 1.253110720861628e-09 1.270756132857147e-09 3.070606741648857e-09 ] [ -1.465048086220011e-09 -2.746606734725239e-09 -3.745077757407288e-09 ] [ 3.761191808988647e-09 2.266099866993057e-09 2.212693071732971e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.292677 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.615816169964588e-18 } }