{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7994065999999999 0.024860899999999995 0.32548829999999995 ] [ 1.0834099999999998 0.7575658999999999 -1.9027371999999998 ] [ -2.3378068999999995 0.24479779999999998 -1.1111143999999997 ] [ 0.46577789999999997 1.6138881999999999 0.2826506999999999 ] [ 0.17238529999999996 0.20208149999999997 1.4553830999999997 ] [ -0.44966919999999994 -0.24530189999999996 -0.20554189999999997 ] [ 1.0232043999999998 -1.7254258999999998 1.5709989999999998 ] [ 0.8421051999999999 -0.8724664999999999 -0.41512759999999993 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.280790575585384e-09 3.983155308021058e-11 5.21489748900382e-10 ] [ 1.73581418704194e-09 1.21375438369518e-09 -3.048521082482584e-09 ] [ -3.745579589983973e-09 3.922093152146051e-10 -1.780201529380929e-09 ] [ 7.462584680135885e-10 2.585733963928318e-09 4.528563471237437e-10 ] [ 2.761916997050801e-10 3.237702574636709e-10 2.331780796338484e-09 ] [ -7.204494852694726e-10 -3.930169724558045e-10 -3.293144294879645e-10 ] [ 1.639354181485989e-09 -2.76443706067842e-09 2.517017889837366e-09 ] [ 1.349201274809896e-09 -1.397845440247761e-09 -6.651077408484983e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.118934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.786891209978816e-18 } }