{ "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" [ 5.46308 0 0 ] "si-unit" "m" "si-value" [ 5.46308e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0404011 5.38219 0 ] "si-unit" "m" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0107061 -0.144189 5.56456 ] "si-unit" "m" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0957934 0.00987827 -0.0909378 ] [ 1.38627 1.24986 1.3117 ] [ -0.0751597 2.80438 2.76133 ] [ 1.36904 3.93592 4.18176 ] [ 2.71956 -0.067532 2.7564 ] [ 4.08015 1.26891 4.08099 ] [ 2.56948 2.74723 0.13466 ] [ 4.07358 4.09238 1.48906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.579340000000001e-12 9.87827e-13 -9.09378e-12 ] [ 1.38627e-10 1.24986e-10 1.3117e-10 ] [ -7.51597e-12 2.80438e-10 2.76133e-10 ] [ 1.36904e-10 3.93592e-10 4.18176e-10 ] [ 2.71956e-10 -6.7532e-12 2.7564e-10 ] [ 4.08015e-10 1.26891e-10 4.08099e-10 ] [ 2.56948e-10 2.74723e-10 1.3466e-11 ] [ 4.07358e-10 4.092380000000001e-10 1.48906e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2962978 0.6842724 -0.2858754 ] [ -2.005726 -0.5005169 1.511285 ] [ 1.272606 -3.101266 -0.2923967 ] [ 1.4836692 -0.5707468 0.6630531 ] [ -2.3769253 1.4750065 1.1784944 ] [ 0.0934214 2.4997128 1.4951397 ] [ 1.936658 0.0167219 -1.3225392 ] [ 0.8925946 -0.5031838 -2.9471609 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.076898045865605e-09 1.096325250571102e-09 -4.580228861154035e-10 ] [ -3.213527331406284e-09 -8.019164821021146e-10 2.42134551431469e-09 ] [ 2.038939597488203e-09 -4.968775921018643e-09 -4.684711605987078e-10 ] [ 2.377100124825472e-09 -9.144371868902711e-10 1.062328183921265e-09 ] [ -3.808254176423439e-09 2.363220949298121e-09 1.888156190979849e-09 ] [ 1.496775841955676e-10 4.004981439870715e-09 2.39547789190577e-09 ] [ 3.102868195649171e-09 2.67914374560846e-11 -2.118941403789053e-09 ] [ 1.430094211754576e-09 -8.061893269673291e-10 -4.72187233061841e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -326.14932 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.225488196989888e-17 } }