{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.031447 -0.0399251 -1.2637356 ] [ -0.2175032 -0.0640737 0.8446052 ] [ -0.0530097 -0.5581011 -1.3472181 ] [ -1.8543384 -1.7351685 3.9862812 ] [ 2.2703812 1.4833993 -3.3006864 ] [ -0.3125255 -0.0128112 2.0320754 ] [ 0.2527771 -0.0493686 -1.8138947 ] [ -0.0543345 0.9760489 0.8625731 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.03836481942976e-11 -6.396706180310209e-11 -2.02472763319266e-09 ] [ -3.484785419891866e-10 -1.02657384148153e-10 1.353206705246108e-09 ] [ -8.493090201562177e-11 -8.941765344627629e-10 -2.158481342938597e-09 ] [ -2.970977631531679e-09 -2.780046403848604e-09 6.386726542574569e-09 ] [ 3.637551678943849e-09 2.376667677771086e-09 -5.288282582672517e-09 ] [ -5.007210495038304e-10 -2.052580512439296e-11 3.255743697582808e-09 ] [ 4.049935598936236e-10 -7.909721672162689e-11 -2.90617968093303e-09 ] [ -8.70534656028576e-11 1.563802728337557e-09 1.381994454550981e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.288854 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.333462361202457e-18 } }