{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1996803 0.8847005 -2.3262306 ] [ -0.6947004 0.3522305 0.494641 ] [ -0.3478842 -0.5748991 -1.4093507 ] [ -1.3174996 -0.7963152 3.2036252 ] [ 3.1918897 1.3425379 -1.7618443 ] [ -0.2620396 -1.6669099 -0.1836353 ] [ -0.216652 0.9095421 -0.0415473 ] [ -1.5527941 -0.4508868 2.024342 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.92209972909433e-09 1.41744645751007e-09 -3.727032281909557e-09 ] [ -1.113032739340408e-09 5.643354722326944e-10 7.925022458891328e-10 ] [ -5.573719319857114e-10 -9.210898973389613e-10 -2.258028742048115e-09 ] [ -2.110867057033352e-09 -1.275837596227676e-09 5.132773397245724e-09 ] [ 5.113971053512327e-09 2.150982835917928e-09 -2.822785746949742e-09 ] [ -4.198337208437836e-10 -2.670684070760066e-09 -2.942161844135942e-10 ] [ -3.471147692495616e-10 1.457247088253336e-09 -6.656611271736384e-11 ] [ -2.487850403936178e-09 -7.224002895873253e-10 3.243353424903513e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.477567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.08195622022656e-18 } }