{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4920941 0.3638072 -1.7228586 ] [ -0.0338933 -0.635261 1.8445045 ] [ -0.0625324 -1.4333271 -0.1857643 ] [ 0.4876543 0.7087558 2.9635111 ] [ -0.5071803 1.1180352 -0.8768147 ] [ -0.4995881 0.6442448 0.119713 ] [ 0.6116914 -0.3226721 -2.0062956 ] [ -1.4882458 -0.4435828 -0.1359954 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.390598283053617e-09 5.828833903187099e-10 -2.760323769864219e-09 ] [ -5.430305286176064e-11 -1.017800322306029e-09 2.955221986860394e-09 ] [ -1.001879493225139e-10 -2.296443169579064e-09 -2.976272184392774e-10 ] [ 7.813083184925894e-10 1.135551972616401e-09 4.74806819990129e-09 ] [ -8.125924191903303e-10 1.791289858671452e-09 -1.404812013113766e-09 ] [ -8.004283738498925e-10 1.032193956631972e-09 1.918013698058304e-10 ] [ 9.800376602244211e-10 -5.169776948044397e-10 -3.214439904733909e-09 ] [ -2.384432626763793e-09 -7.106979915490023e-10 -2.178886504163443e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.166261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.794473783595083e-18 } }