{ "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" [ [ 4.189011900000001 0.8216658000000002 1.6658481000000005 ] [ -2.0190316000000004 -1.4964632000000002 -0.9470420000000003 ] [ 1.4314716000000003 1.0836089000000002 -0.7765215000000002 ] [ -3.236501100000001 -0.6486830000000001 0.7871181000000003 ] [ 3.6942576000000007 0.7572282000000002 -1.2056852000000002 ] [ -2.0674780000000004 -0.040279 -1.5485210000000005 ] [ 0.3023832000000001 -0.8559052000000003 -0.27936790000000006 ] [ -2.2941138000000003 0.3788276000000001 2.3041714000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.711536985727944e-09 1.316453745716917e-09 2.668982901613296e-09 ] [ -3.234845252827635e-09 -2.397598372680869e-09 -1.517328563816628e-09 ] [ 2.293470349754595e-09 1.736132859974443e-09 -1.244124603098631e-09 ] [ -5.185446438335298e-09 -1.039304745473022e-09 1.261102228018476e-09 ] [ 5.918853206696919e-09 1.213213328645879e-09 -1.931720655399617e-09 ] [ -3.312464942909052e-09 -6.4534072640886e-11 -2.481004163458315e-09 ] [ 4.844712975541489e-10 -1.371311312359097e-09 -4.475967216696487e-10 ] [ -3.67557552609695e-09 6.069487290342985e-10 3.691689577811068e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.658981 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.713198615044994e-18 } }