{ "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" [ 5.40836 0 0 ] "si-unit" "m" "si-value" [ 5.40836e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0676972 5.56169 0 ] "si-unit" "m" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0290382 0.0456166 5.46301 ] "si-unit" "m" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.160852 -0.0174641 0.0414383 ] [ 1.3693 1.3835 1.35672 ] [ 0.168786 2.76991 2.61562 ] [ 1.32577 4.00891 4.07743 ] [ 2.71647 0.0672876 2.67609 ] [ 4.01486 1.47906 4.19059 ] [ 2.74225 2.69331 -0.0428987 ] [ 4.04746 4.06755 1.1226 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60852e-11 -1.74641e-12 4.14383e-12 ] [ 1.3693e-10 1.3835e-10 1.35672e-10 ] [ 1.68786e-11 2.76991e-10 2.61562e-10 ] [ 1.32577e-10 4.008910000000001e-10 4.07743e-10 ] [ 2.71647e-10 6.728760000000001e-12 2.67609e-10 ] [ 4.01486e-10 1.47906e-10 4.19059e-10 ] [ 2.74225e-10 2.69331e-10 -4.28987e-12 ] [ 4.04746e-10 4.06755e-10 1.1226e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.0884401 -2.7621906 -6.2462628 ] [ 13.3807336 1.8138311 -8.5498977 ] [ -21.6339221 -0.5621601 -1.4007654 ] [ 13.2835116 9.4051907 8.1413114 ] [ 2.3266547 -5.718914 3.8743009 ] [ 22.0883153 -18.5333664 -19.2805978 ] [ -30.3603392 7.5038022 11.6415657 ] [ 10.0034861 8.8538071 11.8203458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.456128636772862e-08 -4.425517237974439e-09 -1.000761630798342e-08 ] [ 2.14382987196987e-08 2.906077806442517e-09 -1.369844631803034e-08 ] [ -3.466136449039621e-08 -9.006797767871034e-10 -2.244273593595663e-09 ] [ 2.128253190298795e-08 1.50687767778541e-08 1.304381889519783e-08 ] [ 3.72771179572628e-09 -9.162710382655474e-09 6.20731437506517e-09 ] [ 3.53893826580847e-08 -2.969372659544069e-08 -3.08909232847118e-08 ] [ -4.864262606655424e-08 1.202241655099779e-08 1.865184454771585e-08 ] [ 1.602735168796378e-08 1.41853628575633e-08 1.893828184656004e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -28.87372 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.626079952065847e-18 } }