{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4486898 0.3167298 0.1376519 ] [ -0.1260634 -0.4518768 0.4496576 ] [ -0.0384463 0.5730624 -0.2753467 ] [ 0.4404414 -0.1712696 -0.4104524 ] [ 0.0561095 0.2955411 0.4161683 ] [ -0.5429162 -0.5350674 0.1193892 ] [ 0.2086774 -0.1510759 -0.8005309 ] [ 0.4508874 0.1239563 0.3634631 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.188803075514279e-10 5.074570806706599e-10 2.205426559886995e-10 ] [ -2.019758322185587e-10 -7.239864444419176e-10 7.204308940850381e-10 ] [ -6.159776301626305e-11 9.181471795395378e-10 -4.411540453544314e-10 ] [ 7.056649139124211e-10 -2.744041489737677e-10 -6.576172392312499e-10 ] [ 8.98973291047776e-11 4.735090409055149e-10 6.667751205780807e-10 ] [ -8.69847642693577e-10 -8.572724788322419e-10 1.912825850160154e-10 ] [ 3.3433805156933e-10 -2.420502749463188e-10 -1.282591892207983e-09 ] [ 7.224012508932979e-10 1.985998858608711e-10 5.823320813434924e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 153.84094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.464803573898956e-17 } }