{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2316839 -2.957185 -2.3684135 ] [ -0.8464883 -0.3390076 7.2867358 ] [ 0.745876 -0.7257778 1.7356142 ] [ -8.9397494 -12.5313828 7.8375106 ] [ 6.0519199 9.670564 -10.4391717 ] [ 1.8111534 2.9612109 1.0713249 ] [ 5.128914 4.7025422 -3.0159025 ] [ -0.7199418 -0.7809639 -2.1076978 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.177728390395766e-09 -4.737932670380448e-09 -3.794616738087101e-09 ] [ -1.356223764040737e-09 -5.431500509935181e-10 1.167463774070638e-08 ] [ 1.195025089215821e-09 -1.162824223055658e-09 2.780760493968495e-09 ] [ -1.432305748449083e-08 -2.007748854845524e-08 1.255707624859218e-08 ] [ 9.696244574734274e-09 1.549395155075013e-08 -1.672539683825699e-08 ] [ 2.901787634162431e-09 4.744382873238128e-09 1.716451708060898e-09 ] [ 8.217426100893812e-09 7.534303171165398e-09 -4.832008476112272e-09 ] [ -1.153473920296669e-09 -1.251242102268789e-09 -3.376904138871595e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.525333 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.249826839153473e-18 } }