{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.4038177000000007 0.5102748000000001 1.2850262000000001 ] [ -1.5266434000000004 -1.0704206000000003 -0.6099845000000002 ] [ 1.2466020000000002 0.8237636000000003 -0.6677213000000001 ] [ -2.8421649000000007 -0.6586702000000001 0.6919819000000001 ] [ 2.8602884000000004 0.9244849000000003 -1.0778110000000003 ] [ -1.7176074000000003 0.07694450000000001 -1.2794432000000002 ] [ 0.20047970000000007 -0.7841737000000002 -0.21257980000000007 ] [ -1.6247721000000004 0.17779670000000003 1.8705317000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.453517185335623e-09 8.175503614790233e-10 2.058838951717811e-09 ] [ -2.445952383930316e-09 -1.71500287387226e-09 -9.77302913002173e-10 ] [ 1.997276596297668e-09 1.319814791859723e-09 -1.069807464884104e-09 ] [ -4.553650192754947e-09 -1.055306003952107e-09 1.108677231330925e-09 ] [ 4.582687240981246e-09 1.481188105265827e-09 -1.726843600068174e-09 ] [ -2.751910442665492e-09 1.23278680014813e-10 -2.049893999570189e-09 ] [ 3.212038909313298e-10 -1.256384779137326e-09 -3.405903884203932e-10 ] [ -2.603171894195112e-09 2.848617183423078e-10 2.996922182896298e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.599058292303475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.543380275433256e-18 } }